1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide

C12H15ClN2O3S — CID 168716499

IUPAC1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCC(c1cccc(Cl)c1)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C12H15ClN2O3S/c1-8(9-3-2-4-10(13)5-9)15-7-11(6-12(15)16)19(14,17)18/h2-5,8,11H,6-7H2,1H3,(H2,14,17,18)
InChIKeyYTMBRXKZOLJILF-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.29
Rot. Bonds3

About 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide

1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716499) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716499
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCC(c1cccc(Cl)c1)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C12H15ClN2O3S/c1-8(9-3-2-4-10(13)5-9)15-7-11(6-12(15)16)19(14,17)18/h2-5,8,11H,6-7H2,1H3,(H2,14,17,18)
InChIKeyYTMBRXKZOLJILF-UHFFFAOYSA-N
XLogP1.29
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716593
4-(chloromethyl)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168506584
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716591
methyl 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168692613
5-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-sulfonyl chloride
CID 168710911
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716400
1-[1-(3-ethoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713228
1-[1-(3,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713162
1-[(1S)-1-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710964
3-(3-methoxyphenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716580
5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168713164
5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168713177

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide (CID 168716499) is 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide is CC(c1cccc(Cl)c1)N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is YTMBRXKZOLJILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-8(9-3-2-4-10(13)5-9)15-7-11(6-12(15)16)19(14,17)18/h2-5,8,11H,6-7H2,1H3,(H2,14,17,18).
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 302.78 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).