4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C13H17ClN2O3S — CID 2238981

IUPAC4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C13H17ClN2O3S/c14-11-3-5-12(6-4-11)20(18,19)15-8-7-13(17)16-9-1-2-10-16/h3-6,15H,1-2,7-10H2
InChIKeyDRDNFQVCLHNZBH-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.63
Rot. Bonds5

About 4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 2238981) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID2238981
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C13H17ClN2O3S/c14-11-3-5-12(6-4-11)20(18,19)15-8-7-13(17)16-9-1-2-10-16/h3-6,15H,1-2,7-10H2
InChIKeyDRDNFQVCLHNZBH-UHFFFAOYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 6467110
3-chloro-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 852354
3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 4963713
3-Pyrazolidinone, 1-((4-chlorophenyl)sulfonyl)-
CID 1487854
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-ylethyl)benzenesulfonamide
CID 804278
4-chloro-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 934904
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 2242336
1-(4-Chloro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid cyclohexylamide
CID 3154066
N~3~-[(4-chlorophenyl)sulfonyl]-N~1~-(3-methylbutyl)-beta-alaninamide
CID 3243847
1-((4-Chlorophenyl)sulfonyl)-1,4-diazepan-5-one
CID 1535371

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 2238981) is 4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is DRDNFQVCLHNZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c14-11-3-5-12(6-4-11)20(18,19)15-8-7-13(17)16-9-1-2-10-16/h3-6,15H,1-2,7-10H2.
What are the key properties of 4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 316.81 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2238981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).