1-Benzenesulfonyl-piperazine

C₁₀H₁₄N₂O₂SCAS 14172-55-5226.29 g/mol

Open in Covalent MOL file

Secondary amine Sulfonamide

Properties

Molecular formula: C₁₀H₁₄N₂O₂S
Molar mass: 226.29 g/mol
Exact mass: 226.0776 Da
logP: 0.28Crippen estimate
Polar surface area: 49.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

14172-55-5

SMILES

C1CN(CCN1)S(=O)(=O)C2=CC=CC=C2

InChIKey

NANQJUFFKXWVJR-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2O2S/c13-15(14,10-4-2-1-3-5-10)12-8-6-11-7-9-12/h1-5,11H,6-9H2

Weigh it out

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

Names and synonyms

1 names

1-(Benzenesulfonyl)piperazine

Work with 1-Benzenesulfonyl-piperazine

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-Chloro-benzenesulfonyl)-piperazine16017-53-167 % similar 1-[(4-Methylphenyl)sulfonyl]piperazine27106-51-067 % similar N-Fluorobenzenesulfonimide133745-75-247 % similar 1-(5-Isoquinolinylsulfonyl)piperazine84468-24-645 % similar Fasudil103745-39-745 % similar Phenylpiperazine92-54-644 % similar 4-(Piperidine-1-sulfonyl)-phenylamine6336-68-143 % similar Fasudil hydrochloride105628-07-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Aminophenyl)thiomorpholine 1,1-dioxide105297-10-7 4-(Pyrrolidine-1-sulfonyl)aniline88327-91-7 N,N-Dimethylindoline-5-sulfonamide99169-99-0

Elsewhere

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