4-((1-Pyrrolidinylsulfonyl)methyl)benzenamine

C₁₁H₁₆N₂O₂SCAS 334981-10-1240.32 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₁₁H₁₆N₂O₂S
Molar mass: 240.32 g/mol
Exact mass: 240.0932 Da
logP: 1.19Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

334981-10-1

SMILES

Nc1ccc(CS(=O)(=O)N2CCCC2)cc1

InChIKey

VNSKHALYBQZMFW-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2O2S/c12-11-5-3-10(4-6-11)9-16(14,15)13-7-1-2-8-13/h3-6H,1-2,7-9,12H2

Weigh it out

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

Names and synonyms

4 names

4-[(1-Pyrrolidinylsulfonyl)methyl]benzenamine
Benzenamine, 4-[(1-pyrrolidinylsulfonyl)methyl]-
Pyrrolidine, 1-[[(4-aminophenyl)methyl]sulfonyl]-
1-((4-Aminobenzenemethane)sulfonyl)pyrrolidine

Work with 4-((1-Pyrrolidinylsulfonyl)methyl)benzenamine

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

Similar compounds

1-((4-(Hydrazino)benzenemethane)sulfonyl)pyrrolidine hydrochloride334981-11-261 % similar 1-[[(4-Nitrophenyl)methyl]sulfonyl]pyrrolidine340041-91-056 % similar 4-(Pyrrolidine-1-sulfonyl)aniline88327-91-754 % similar 4-(Piperidin-1-ylmethyl)aniline29608-05-746 % similar 4-Amino-N-methylbenzenemethanesulfonamide109903-35-745 % similar Almotriptan154323-57-642 % similar Benzenemethanesulfonamide, 4-amino-N-methyl-, hydrochloride (1:1)88918-84-741 % similar 4-(Piperidin-1-yl)aniline2359-60-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-[(4-Methylphenyl)sulfonyl]piperazine27106-51-0 O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate41840-28-2 4-(Piperidine-1-sulfonyl)-phenylamine6336-68-1 (2S)-N,N-Dimethyl-2-(phenylmethyl)-1-aziridinesulfonamide902146-43-4

Elsewhere

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