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

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 N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-446 % similar N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide42137-88-245 % similar 1-(5-Isoquinolinylsulfonyl)piperazine84468-24-643 % similar 4,4'-Dichlorodiphenyl sulfone80-07-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook