1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine

C24H25ClN2O3S — CID 3308591

IUPAC1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H25ClN2O3S/c1-30-22-13-12-21(25)18-23(22)31(28,29)27-16-14-26(15-17-27)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24H,14-17H2,1H3
InChIKeyUCNRZVFUVFNSFX-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.44
Rot. Bonds6

About 1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine

1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine (PubChem CID 3308591) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine
PubChem CID3308591
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H25ClN2O3S/c1-30-22-13-12-21(25)18-23(22)31(28,29)27-16-14-26(15-17-27)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24H,14-17H2,1H3
InChIKeyUCNRZVFUVFNSFX-UHFFFAOYSA-N
XLogP4.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Chlorobenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1360786
1-(4-Chloro-benzyl)-4-(4-methoxy-benzenesulfonyl)-piperazine
CID 651944
5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 44526711
(3S,4R)-8-chloro-2-[(2,4-difluorophenyl)methyl]-3-methyl-4-phenyl-3,4-dihydro-5,1lambda6,2-benzoxathiazepine 1,1-dioxide
CID 45479961
1-(2-Methoxy-5-methylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride
CID 16322065
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
(1R,2S,9R,10R)-3-(5-chloro-2-methoxyphenyl)sulfonyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
CID 145991043
Piperazine, 1-((5-chloro-2-methoxyphenyl)sulfonyl)-4-(phenylmethyl)-
CID 1122739
1-(5-Chloro-2-methoxybenzenesulfonyl)-4-[(3-fluorophenyl)methyl]piperazine
CID 4249956
1-(4-Methoxyphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride
CID 16322062
(3S,4R)-8-chloro-2-[(3-fluorophenyl)methyl]-3-methyl-4-phenyl-3,4-dihydro-5,1lambda6,2-benzoxathiazepine 1,1-dioxide
CID 46902217
N-benzyl-5-chloro-N-[(2,2-dimethylchromen-6-yl)methyl]-2-methoxybenzenesulfonamide
CID 56662201

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine (CID 3308591) is 1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine?
The InChIKey is UCNRZVFUVFNSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-30-22-13-12-21(25)18-23(22)31(28,29)27-16-14-26(15-17-27)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24H,14-17H2,1H3.
What are the key properties of 1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine?
1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine has a molecular weight of 457.00 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 3308591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).