1-(4-Chloro-benzenesulfonyl)-piperazine

C₁₀H₁₃ClN₂O₂SCAS 16017-53-1260.74 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Sulfonamide

Properties

Molecular formula: C₁₀H₁₃ClN₂O₂S
Molar mass: 260.74 g/mol
Exact mass: 260.0386 Da
logP: 0.93Crippen estimate
Polar surface area: 49.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation100% 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+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16017-53-1

SMILES

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

InChIKey

CKVKEBVACPUEIB-UHFFFAOYSA-N

InChI

InChI=1S/C10H13ClN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2

Weigh it out

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

Names and synonyms

1 names

1-(4-Chlorobenzenesulfonyl)piperazine

Work with 1-(4-Chloro-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-Benzenesulfonyl-piperazine14172-55-567 % similar 1-[(4-Methylphenyl)sulfonyl]piperazine27106-51-066 % similar 1-(4-Chlorophenyl)piperazine38212-33-850 % similar 1-(4-Chlorophenyl)piperazine hydrochloride13078-12-146 % similar 1-(4-Chlorobenzyl)piperazine23145-88-246 % similar N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-446 % similar N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide42137-88-245 % similar 1-(4,4'-Dichlorobenzhydryl)piperazine27469-61-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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