N-Allyloxycarbonyl-2-nitrobenzenesulfonamide

Inquiry

Molecular Formula:

C10H10N2O6S

Molecular Weight:

286.26

CAS Number:

90916-29-3

Catalog Number:

90916-29-3

Product Information

Molecular Formula:

C10H10N2O6S

Molecular Weight:

286.26

Description

N-Allyloxycarbonyl-2-nitrobenzenesulfonamide helps selectively target harmful enzymes or receptors associated with a range of diseases including cancer, inflammation and microbial infections.

Synonyms

N-ALLOC-2-NITROBENZENESULFONAMIDE; N-ALLOC-O-NITROBENZENESULFONAMIDE; N-ALLYLOXYCARBONYL-2-NITROBENZENESULFONAMIDE

IUPAC Name

prop-2-enyl N-(2-nitrophenyl)sulfonylcarbamate

Canonical SMILES

C=CCOC(=O)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O6S/c1-2-7-18-10(13)11-19(16,17)9-6-4-3-5-8(9)12(14)15/h2-6H,1,7H2,(H,11,13)

InChI Key

CRGOQFIAULBODK-UHFFFAOYSA-N

Melting Point

105 °C

Purity

>98.0%(N)

Appearance

White to Almost white powder to crystal

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

1.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

286.02595722 g/mol

Monoisotopic Mass

286.02595722 g/mol

Topological Polar Surface Area

127Å²

Heavy Atom Count

Formal Charge

Complexity

450

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-102540713-A	Resin composition for laser engraving, relief printing plate precursor for laser engraving and process for producing same, and process for making relief printing plate	2010-12-10
JP-2012121300-A	Resin composition for laser engraving, relief printing plate precursor for laser engraving and method for producing the same, and plate making method for relief printing plate	2010-12-10
JP-5193276-B2	Resin composition for laser engraving, relief printing plate precursor for laser engraving and method for producing the same, and plate making method for relief printing plate	2010-12-10
US-2012146264-A1	Resin composition for laser engraving, relief printing plate precursor for laser engraving and process for producing same, and process for making relief printing plate	2010-12-10
EP-1704856-A1	Hsp90 family protein inhibitor	2003-12-26
US-2007155813-A1	Hsp90 family protein inhibitors	2003-12-26
US-7538241-B2	Hsp90 family protein inhibitors	2003-12-26

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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