4-(Piperidine-1-sulfonyl)-phenylamine

C₁₁H₁₆N₂O₂SCAS 6336-68-1240.32 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: 1.44Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

6336-68-1

SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N

InChIKey

ZTTBIWZAAMPNBE-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2O2S/c12-10-4-6-11(7-5-10)16(14,15)13-8-2-1-3-9-13/h4-7H,1-3,8-9,12H2

Weigh it out

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

Names and synonyms

1 names

4-(Piperidine-1-sulfonyl)aniline

Work with 4-(Piperidine-1-sulfonyl)-phenylamine

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

4-(Pyrrolidine-1-sulfonyl)aniline88327-91-796 % similar 4-(Morpholinosulfonyl)aniline21626-70-070 % similar 4-(4-Methylpiperazine-1-sulfonyl)aniline21623-68-768 % similar 4-Amino-N,N-dimethylbenzenesulfonamide1709-59-755 % similar 3-(Morpholinosulfonyl)aniline22184-97-046 % similar 4-(Piperidin-1-yl)aniline2359-60-645 % similar 2,7-Bis(piperidin-1-ylsulfonyl)-9H-fluoren-9-one oxime300802-28-245 % similar Dapsone80-08-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-[(4-Methylphenyl)sulfonyl]piperazine27106-51-0 4-((1-Pyrrolidinylsulfonyl)methyl)benzenamine334981-10-1 O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate41840-28-2 (2S)-N,N-Dimethyl-2-(phenylmethyl)-1-aziridinesulfonamide902146-43-4

Elsewhere

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