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

C24H25ClN2O2S — CID 92770848

IUPAC1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine
SMILESCc1ccc(C(c2ccccc2)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C24H25ClN2O2S/c1-19-10-12-21(13-11-19)24(20-6-3-2-4-7-20)26-14-16-27(17-15-26)30(28,29)23-9-5-8-22(25)18-23/h2-13,18,24H,14-17H2,1H3
InChIKeyWQGJKSAKMZTDCL-UHFFFAOYSA-N
MW441.00 g/mol
LogP4.74
Rot. Bonds5

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

1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine (PubChem CID 92770848) has the molecular formula C24H25ClN2O2S and a molecular weight of 441.00 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine
PubChem CID92770848
Molecular FormulaC24H25ClN2O2S
Molecular Weight441.00 g/mol
Exact Mass440.13
IUPAC Name1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine
SMILESCc1ccc(C(c2ccccc2)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C24H25ClN2O2S/c1-19-10-12-21(13-11-19)24(20-6-3-2-4-7-20)26-14-16-27(17-15-26)30(28,29)23-9-5-8-22(25)18-23/h2-13,18,24H,14-17H2,1H3
InChIKeyWQGJKSAKMZTDCL-UHFFFAOYSA-N
XLogP4.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.00
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 71903436
1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine
CID 92772321
1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine
CID 113076262
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 2451043
1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 19132655
1-[1-(benzenesulfonyl)-2,5-dimethylpyrrol-3-yl]sulfonyl-4-benzhydrylpiperazine
CID 17247748
1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 92772560
[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
CID 110394188
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46560526
5-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 92655636
1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 92772886

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine (CID 92770848) is 1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine is Cc1ccc(C(c2ccccc2)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine?
The InChIKey is WQGJKSAKMZTDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2S/c1-19-10-12-21(13-11-19)24(20-6-3-2-4-7-20)26-14-16-27(17-15-26)30(28,29)23-9-5-8-22(25)18-23/h2-13,18,24H,14-17H2,1H3.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine?
1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine has a molecular weight of 441.00 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine is sourced from PubChem (CID 92770848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).