Benzenemethanesulfonamide, 4-amino-N-methyl-, hydrochloride (1:1)

C8H13ClN2O2SCAS 88918-84-7236.71 g/mol

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NHSOONH2HCl
Primary amineSulfonamide

Properties

Molecular formula
C8H13ClN2O2S
Molar mass
236.71 g/mol
Exact mass
236.0386 Da
logP
0.74Crippen estimate
Polar surface area
72.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
88918-84-7
SMILES
CNS(=O)(=O)Cc1ccc(N)cc1.Cl
InChIKey
VKLYKCNYIYHJEY-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2O2S.ClH/c1-10-13(11,12)6-7-2-4-8(9)5-3-7;/h2-5,10H,6,9H2,1H3;1H

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Names and synonyms

1 names
  • Benzenemethanesulfonamide, 4-amino-N-methyl-, monohydrochloride

Work with Benzenemethanesulfonamide, 4-amino-N-methyl-, hydrochloride (1:1)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Amino-N-methylbenzenemethanesulfonamide109903-35-7Free base

Similar compounds

4-Hydrazino-N-methylbenzenemethanesulfonamide hydrochloride88933-16-869 % similar N-Methyl-4-nitrobenzenemethanesulfonamide85952-29-051 % similar 3-(2-Aminoethyl)-N-methyl-1H-indole-5-methanesulfonamide88919-22-642 % similar 4-Amino-N-methylbenzenemethanamine38020-69-842 % similar N-Methyl-p-phenylenediamine dihydrochloride5395-70-042 % similar 4-((1-Pyrrolidinylsulfonyl)methyl)benzenamine334981-10-141 % similar Benzenamine, 4-(phenylmethyl)-, hydrochloride (1:1)6317-57-341 % similar 4-Amino-N-ethylbenzenesulfonamide1709-53-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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