4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C13H17ClN2O3S — CID 112990867

IUPAC4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-10-8-11(4-5-12(10)14)20(18,19)15-9-13(17)16-6-2-3-7-16/h4-5,8,15H,2-3,6-7,9H2,1H3
InChIKeyVJQKLZSJXFHNTR-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.55
Rot. Bonds4

About 4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 112990867) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID112990867
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-10-8-11(4-5-12(10)14)20(18,19)15-9-13(17)16-6-2-3-7-16/h4-5,8,15H,2-3,6-7,9H2,1H3
InChIKeyVJQKLZSJXFHNTR-UHFFFAOYSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
CID 110712522
4-bromo-3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668245
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide
CID 112991971
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
4-(2-methoxyethoxy)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 46457688
3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60894571
3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712399
2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
CID 113405985
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112991969
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 112990867) is 4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCC(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is VJQKLZSJXFHNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-10-8-11(4-5-12(10)14)20(18,19)15-9-13(17)16-6-2-3-7-16/h4-5,8,15H,2-3,6-7,9H2,1H3.
What are the key properties of 4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 316.81 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 112990867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).