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

C14H19ClN2O3S — CID 934904

IUPAC4-chloro-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-2-17(11-14(18)16-9-3-4-10-16)21(19,20)13-7-5-12(15)6-8-13/h5-8H,2-4,9-11H2,1H3
InChIKeyQZHBXIZMMMKAIE-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.97
Rot. Bonds5

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

4-chloro-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 934904) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID934904
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name4-chloro-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-2-17(11-14(18)16-9-3-4-10-16)21(19,20)13-7-5-12(15)6-8-13/h5-8H,2-4,9-11H2,1H3
InChIKeyQZHBXIZMMMKAIE-UHFFFAOYSA-N
XLogP1.97
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[4-(4-Chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 2572434
N-Ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 2985941
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
CID 4788586
3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 4963713
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
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 803952
4-Chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 804278
N~2~-[(4-chlorophenyl)sulfonyl]-N~1~,N~1~,N~2~-trimethylglycinamide
CID 973230

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 934904) is 4-chloro-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is CCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is QZHBXIZMMMKAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-2-17(11-14(18)16-9-3-4-10-16)21(19,20)13-7-5-12(15)6-8-13/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 4-chloro-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
4-chloro-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 330.84 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 934904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).