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

C13H17ClN2O3S — CID 4963713

IUPAC3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCN(CC(=O)N1CCCC1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O3S/c1-15(10-13(17)16-7-2-3-8-16)20(18,19)12-6-4-5-11(14)9-12/h4-6,9H,2-3,7-8,10H2,1H3
InChIKeyGYXWNEIVLLCJKC-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.58
Rot. Bonds4

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

3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 4963713) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID4963713
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCN(CC(=O)N1CCCC1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O3S/c1-15(10-13(17)16-7-2-3-8-16)20(18,19)12-6-4-5-11(14)9-12/h4-6,9H,2-3,7-8,10H2,1H3
InChIKeyGYXWNEIVLLCJKC-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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Related Compounds

1-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 2559660
4-chloro-N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 804119
3-chloro-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 852354
N-Ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 2985941
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
CID 4788586
N-Ethyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 2985919
2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4782818
2-Pyrrolidinone, 1-((4-chlorophenyl)sulfonyl)-
CID 667535
4-Chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 804278
4-chloro-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 934904
N~2~-[(4-chlorophenyl)sulfonyl]-N~1~,N~1~,N~2~-trimethylglycinamide
CID 973230
2,5-Dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 1082969

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 4963713) is 3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is CN(CC(=O)N1CCCC1)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is GYXWNEIVLLCJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-15(10-13(17)16-7-2-3-8-16)20(18,19)12-6-4-5-11(14)9-12/h4-6,9H,2-3,7-8,10H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
3-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 3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 4963713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).