4-Amino-N-methylbenzenemethanesulfonamide

C₈H₁₂N₂O₂SCAS 109903-35-7200.26 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₈H₁₂N₂O₂S
Molar mass: 200.26 g/mol
Exact mass: 200.0619 Da
logP: 0.32Crippen estimate
Polar surface area: 72.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed86.7% of notifiers
H315 Causes skin irritation13.3% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation13.3% of notifiers
H335 May cause respiratory irritation13.3% of notifiers
H411 Toxic to aquatic life with long lasting effects11.1% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

109903-35-7

SMILES

CNS(=O)(=O)Cc1ccc(N)cc1

InChIKey

CIWNHTXCBHTWRV-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2O2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6,9H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Benzenemethanesulfonamide, 4-amino-N-methyl-
4-(((Methylamino)sulfonyl)methyl)aniline
1-(4-Aminophenyl)-N-methylmethanesulfonamide

Work with 4-Amino-N-methylbenzenemethanesulfonamide

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.

Benzenemethanesulfonamide, 4-amino-N-methyl-, hydrochloride (1:1)88918-84-7Salt

Similar compounds

4-Hydrazino-N-methylbenzenemethanesulfonamide hydrochloride88933-16-861 % similar N-Methyl-4-nitrobenzenemethanesulfonamide85952-29-055 % similar 4-Amino-N-methylbenzenemethanamine38020-69-845 % similar 4-((1-Pyrrolidinylsulfonyl)methyl)benzenamine334981-10-145 % similar 3-(2-Aminoethyl)-N-methyl-1H-indole-5-methanesulfonamide88919-22-645 % similar 6-Amino-N-methyl-2-naphthalenesulfonamide104295-55-843 % similar 4,4′-Ethylenedianiline621-95-441 % similar 4-(Methylsulfonyl)aniline5470-49-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl N-4-thiazolylcarbamate1235406-42-4 4-Amino-N-ethylbenzenesulfonamide1709-53-1 4-Amino-N,N-dimethylbenzenesulfonamide1709-59-7 4-(2-Aminoethyl)benzenesulfonamide35303-76-5 1,3-Diethyl-2-thiobarbituric acid5217-47-0

Elsewhere

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