N-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

C13H17ClN2O3S — CID 846651

IUPACN-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3S/c1-20(18,19)16(12-6-4-11(14)5-7-12)10-13(17)15-8-2-3-9-15/h4-7H,2-3,8-10H2,1H3
InChIKeyXQOMXIWDYKLDFN-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.73
Rot. Bonds4

About N-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 846651) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID846651
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC NameN-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3S/c1-20(18,19)16(12-6-4-11(14)5-7-12)10-13(17)15-8-2-3-9-15/h4-7H,2-3,8-10H2,1H3
InChIKeyXQOMXIWDYKLDFN-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(2-chlorophenyl)methanesulfonamido]-N-phenylacetamide
CID 4384110
N-(4-chlorophenyl)-2-(2-oxo-1-pyrrolidinyl)butanamide
CID 4120877
1-(4-Chlorophenyl)-4-(pyrrolidin-1-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 9816707
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylmethanesulfonamide
CID 816034
n-[2-(Azepan-1-yl)-2-oxoethyl]-n-(4-chlorophenyl)methanesulfonamide
CID 881610
N~2~-(3-chloro-4-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 967375
N~2~-(3-chloro-4-fluorophenyl)-N~1~,N~1~-dimethyl-N~2~-(methylsulfonyl)glycinamide
CID 973962
N-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-N-cyclohexyl-methanesulfonamide
CID 1021986
N~2~-cyclohexyl-N~1~-(3,4-dichlorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 1293322
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 1304744
2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone
CID 1443644
3-(4-Chlorophenyl)-5-[(dimethylamino)methylene]-1lambda~6~,3-thiazolane-1,1,4-trione
CID 1475325

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 846651) is N-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is XQOMXIWDYKLDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-20(18,19)16(12-6-4-11(14)5-7-12)10-13(17)15-8-2-3-9-15/h4-7H,2-3,8-10H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 316.81 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 846651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).