4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

C17H17ClN2O3S — CID 7635998

IUPAC4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1N1CCCC1=O
InChIInChI=1S/C17H17ClN2O3S/c1-12-4-7-14(11-16(12)20-10-2-3-17(20)21)19-24(22,23)15-8-5-13(18)6-9-15/h4-9,11,19H,2-3,10H2,1H3
InChIKeyIWKGCGXAVBYTHG-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.58
Rot. Bonds4

About 4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 7635998) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID7635998
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1N1CCCC1=O
InChIInChI=1S/C17H17ClN2O3S/c1-12-4-7-14(11-16(12)20-10-2-3-17(20)21)19-24(22,23)15-8-5-13(18)6-9-15/h4-9,11,19H,2-3,10H2,1H3
InChIKeyIWKGCGXAVBYTHG-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636338
2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636345
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954159
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43916699
3-methyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100720907
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
4-N,4-N-dimethyl-1-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzene-1,4-disulfonamide
CID 24602878
1-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 24602844
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636353
4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636285

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (CID 7635998) is 4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1N1CCCC1=O.
What is the InChIKey of 4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is IWKGCGXAVBYTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-12-4-7-14(11-16(12)20-10-2-3-17(20)21)19-24(22,23)15-8-5-13(18)6-9-15/h4-9,11,19H,2-3,10H2,1H3.
What are the key properties of 4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7635998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).