1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine

C24H24Cl2N2O2S — CID 92772321

IUPAC1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H24Cl2N2O2S/c1-18-22(26)8-5-9-23(18)31(29,30)28-16-14-27(15-17-28)24(19-6-3-2-4-7-19)20-10-12-21(25)13-11-20/h2-13,24H,14-17H2,1H3
InChIKeyNJSLEDBIFGITEF-UHFFFAOYSA-N
MW475.44 g/mol
LogP5.40
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine

1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine (PubChem CID 92772321) has the molecular formula C24H24Cl2N2O2S and a molecular weight of 475.44 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine
PubChem CID92772321
Molecular FormulaC24H24Cl2N2O2S
Molecular Weight475.44 g/mol
Exact Mass474.09
IUPAC Name1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H24Cl2N2O2S/c1-18-22(26)8-5-9-23(18)31(29,30)28-16-14-27(15-17-28)24(19-6-3-2-4-7-19)20-10-12-21(25)13-11-20/h2-13,24H,14-17H2,1H3
InChIKeyNJSLEDBIFGITEF-UHFFFAOYSA-N
XLogP5.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.44
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methylphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 47203381
1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine
CID 92772065
5-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 92655636
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine
CID 92770848
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
1-[5-bromo-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 46504137
1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 92772886
1-[1-(benzenesulfonyl)-2,5-dimethylpyrrol-3-yl]sulfonyl-4-benzhydrylpiperazine
CID 17247748
(2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039318
1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 6737163
1-[(2S)-5-bromo-7-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 94850856

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine (CID 92772321) is 1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine is Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine?
The InChIKey is NJSLEDBIFGITEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O2S/c1-18-22(26)8-5-9-23(18)31(29,30)28-16-14-27(15-17-28)24(19-6-3-2-4-7-19)20-10-12-21(25)13-11-20/h2-13,24H,14-17H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine?
1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine has a molecular weight of 475.44 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine is sourced from PubChem (CID 92772321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).