4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide

C19H21ClN2O4S — CID 7636043

IUPAC4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)cc1N1CCCC1=O
InChIInChI=1S/C19H21ClN2O4S/c1-12-10-18(13(2)9-15(12)20)27(24,25)21-14-6-7-17(26-3)16(11-14)22-8-4-5-19(22)23/h6-7,9-11,21H,4-5,8H2,1-3H3
InChIKeyZHYVYDBIEVBKGC-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.89
Rot. Bonds5

About 4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide

4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 7636043) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
PubChem CID7636043
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)cc1N1CCCC1=O
InChIInChI=1S/C19H21ClN2O4S/c1-12-10-18(13(2)9-15(12)20)27(24,25)21-14-6-7-17(26-3)16(11-14)22-8-4-5-19(22)23/h6-7,9-11,21H,4-5,8H2,1-3H3
InChIKeyZHYVYDBIEVBKGC-UHFFFAOYSA-N
XLogP3.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide 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-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7635869
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7636428
4-fluoro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 7636429
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 7636431
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
4-methoxy-2,5-dimethyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636186
4-chloro-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635926
2-methoxy-5-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635810
4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 7635910
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43916699
3-fluoro-4-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7636048

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide (CID 7636043) is 4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)cc1N1CCCC1=O.
What is the InChIKey of 4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is ZHYVYDBIEVBKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-12-10-18(13(2)9-15(12)20)27(24,25)21-14-6-7-17(26-3)16(11-14)22-8-4-5-19(22)23/h6-7,9-11,21H,4-5,8H2,1-3H3.
What are the key properties of 4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 408.91 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 7636043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).