1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine

C18H21ClN2O2S — CID 1239307

IUPAC1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C18H21ClN2O2S/c1-15-13-17(7-8-18(15)19)24(22,23)21-11-9-20(10-12-21)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyWMQQEIWOLXUWKW-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.15
Rot. Bonds4

About 1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine

1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine (PubChem CID 1239307) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
PubChem CID1239307
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C18H21ClN2O2S/c1-15-13-17(7-8-18(15)19)24(22,23)21-11-9-20(10-12-21)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyWMQQEIWOLXUWKW-UHFFFAOYSA-N
XLogP3.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine
CID 113074122
1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 4849534
N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide
CID 78842967
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
1-(4-chloro-3-methylphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 113075058
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
1-benzyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
CID 71903213
1-benzyl-4-[(6-chloro-3-pyridinyl)sulfonyl]piperazine
CID 26945817
1-[(4-chlorophenyl)methyl]-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 37498144
5-(4-benzylpiperazin-1-yl)sulfonyl-4-chloro-2-methylaniline
CID 134081763
4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 113228639

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine (CID 1239307) is 1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine is Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cl.
What is the InChIKey of 1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine?
The InChIKey is WMQQEIWOLXUWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-15-13-17(7-8-18(15)19)24(22,23)21-11-9-20(10-12-21)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine?
1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine has a molecular weight of 364.90 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 1239307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).