2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide

C12H15ClN2O3S — CID 49457104

IUPAC2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCNC2=O)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3S/c1-8-4-5-11(9(13)7-8)19(17,18)15-10-3-2-6-14-12(10)16/h4-5,7,10,15H,2-3,6H2,1H3,(H,14,16)
InChIKeyAJJAGVKCQMKNAJ-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.21
Rot. Bonds3

About 2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide

2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 49457104) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID49457104
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCNC2=O)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3S/c1-8-4-5-11(9(13)7-8)19(17,18)15-10-3-2-6-14-12(10)16/h4-5,7,10,15H,2-3,6H2,1H3,(H,14,16)
InChIKeyAJJAGVKCQMKNAJ-UHFFFAOYSA-N
XLogP1.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide 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

4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49149515
4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 116528562
2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62491455
5-fluoro-2-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 6976095
3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 47203331
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide
CID 63258487
3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62092532
N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
5-bromo-2-chloro-N-(2-oxoazepan-3-yl)pyridine-3-sulfonamide
CID 61060873
4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 107327973
2-bromo-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979852
2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979851

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide (CID 49457104) is 2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCNC2=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is AJJAGVKCQMKNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-8-4-5-11(9(13)7-8)19(17,18)15-10-3-2-6-14-12(10)16/h4-5,7,10,15H,2-3,6H2,1H3,(H,14,16).
What are the key properties of 2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 302.78 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 49457104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).