1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine

C23H23ClN2O2S — CID 1075123

IUPAC1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H23ClN2O2S/c24-21-11-13-22(14-12-21)29(27,28)26-17-15-25(16-18-26)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2
InChIKeyZANCIPHJHVIELA-UHFFFAOYSA-N
MW426.97 g/mol
LogP4.44
Rot. Bonds5

About 1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine

1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine (PubChem CID 1075123) has the molecular formula C23H23ClN2O2S and a molecular weight of 426.97 g/mol. Its IUPAC name is 1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine
PubChem CID1075123
Molecular FormulaC23H23ClN2O2S
Molecular Weight426.97 g/mol
Exact Mass426.12
IUPAC Name1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H23ClN2O2S/c24-21-11-13-22(14-12-21)29(27,28)26-17-15-25(16-18-26)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2
InChIKeyZANCIPHJHVIELA-UHFFFAOYSA-N
XLogP4.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chloro-benzenesulfonyl)-2-phenyl-aziridine
CID 2784017
1-Benzyl-4-[(4-chlorophenyl)sulfonyl]piperazine
CID 985373
[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 478307
{(2S)-2-(3-Chlorophenyl)-4-[4-benzylpiperidyl]butyl}methyl(phenylsulfonyl)amine
CID 478413
{(2S)-2-(3-Chlorophenyl)-4-[4-(3-phenylpropyl)piperidyl]butyl}methyl(phenylsulfonyl)amine
CID 478414
4-Benzyl-1-[(4-chlorophenyl)sulfonyl]piperidine
CID 710407
1-{1-[4-(4-Chloro-benzenesulfonyl)-phenyl]-ethyl}-4-cyclohexyl-piperazine
CID 44312450
N-[(2S)-2-(3-chlorophenyl)-4-[4-(o-tolyl)-1-piperidyl]butyl]-N-methyl-benzenesulfonamide
CID 486595
1-[2-(4-Chlorophenyl)sulfonyl-1-phenylethyl]piperidine
CID 2818845
N-[(2S)-2-(3-chlorophenyl)-4-(4-phenethyl-1-piperidyl)butyl]-N-methyl-benzenesulfonamide
CID 5482457
1-(4-Chlorobenzenesulfonyl)-4-(2-phenylethyl)piperazine
CID 8159803
(8aR,12aS,13aS)-12-(4-chlorophenyl)sulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 14307728

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine (CID 1075123) is 1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine?
The InChIKey is ZANCIPHJHVIELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2S/c24-21-11-13-22(14-12-21)29(27,28)26-17-15-25(16-18-26)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2.
What are the key properties of 1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine?
1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine has a molecular weight of 426.97 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(4-chlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 1075123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).