(2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

C19H21ClN2O3S — CID 2197179

IUPAC(2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1C
InChIInChI=1S/C19H21ClN2O3S/c1-14-7-8-16(13-15(14)2)26(24,25)22-11-9-21(10-12-22)19(23)17-5-3-4-6-18(17)20/h3-8,13H,9-12H2,1-2H3
InChIKeyGHSGPYMSJIXEJR-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.10
Rot. Bonds3

About (2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

(2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 2197179) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID2197179
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name(2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1C
InChIInChI=1S/C19H21ClN2O3S/c1-14-7-8-16(13-15(14)2)26(24,25)22-11-9-21(10-12-22)19(23)17-5-3-4-6-18(17)20/h3-8,13H,9-12H2,1-2H3
InChIKeyGHSGPYMSJIXEJR-UHFFFAOYSA-N
XLogP3.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isomerase, glucose
CID 1151718
4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 145959374
4-[4-(2-Chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide
CID 155937511
3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 984480
3-chloro-4-fluoro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 984858
1-[4-(4-Chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone
CID 2474213
4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2531912
(2,6-Dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 4230482
1-(3-Fluorobenzoyl)-4-[(4-isopropylphenyl)sulfonyl]piperazine
CID 3237315
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-sulfamoylbenzamide
CID 57888938
2-chloro-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431464
3-chloro-N-{[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl}benzene-1-sulfonamide
CID 984493

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 2197179) is (2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1C.
What is the InChIKey of (2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is GHSGPYMSJIXEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-7-8-16(13-15(14)2)26(24,25)22-11-9-21(10-12-22)19(23)17-5-3-4-6-18(17)20/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
(2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 392.91 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2197179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).