4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

C13H17ClN2O3S — CID 2361133

IUPAC4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3S/c14-11-4-6-12(7-5-11)20(18,19)15-8-2-10-16-9-1-3-13(16)17/h4-7,15H,1-3,8-10H2
InChIKeyANKYSPAPZXZRKL-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.63
Rot. Bonds6

About 4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (PubChem CID 2361133) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
PubChem CID2361133
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3S/c14-11-4-6-12(7-5-11)20(18,19)15-8-2-10-16-9-1-3-13(16)17/h4-7,15H,1-3,8-10H2
InChIKeyANKYSPAPZXZRKL-UHFFFAOYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
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
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
3-{[(4-Chlorophenyl)sulfonyl]amino}-1-pyrrolidinylpropan-1-one
CID 2238981
2,4-difluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2409018

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (CID 2361133) is 4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is ANKYSPAPZXZRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c14-11-4-6-12(7-5-11)20(18,19)15-8-2-10-16-9-1-3-13(16)17/h4-7,15H,1-3,8-10H2.
What are the key properties of 4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 316.81 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 2361133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).