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

C13H17ClN2O3S — CID 804278

IUPAC4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3S/c1-15(10-13(17)16-8-2-3-9-16)20(18,19)12-6-4-11(14)5-7-12/h4-7H,2-3,8-10H2,1H3
InChIKeyGDEBJRGLIKAFLO-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.58
Rot. Bonds4

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

4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 804278) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID804278
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3S/c1-15(10-13(17)16-8-2-3-9-16)20(18,19)12-6-4-11(14)5-7-12/h4-7H,2-3,8-10H2,1H3
InChIKeyGDEBJRGLIKAFLO-UHFFFAOYSA-N
XLogP1.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 804278) is 4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is CN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is GDEBJRGLIKAFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-15(10-13(17)16-8-2-3-9-16)20(18,19)12-6-4-11(14)5-7-12/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 316.81 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 804278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).