5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride

C13H16ClNO4S — CID 168711179

IUPAC5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride
SMILESCCCOc1ccc(N2CC(S(=O)(=O)Cl)CC2=O)cc1
InChIInChI=1S/C13H16ClNO4S/c1-2-7-19-11-5-3-10(4-6-11)15-9-12(8-13(15)16)20(14,17)18/h3-6,12H,2,7-9H2,1H3
InChIKeyVQOUQZZPWUOVKH-UHFFFAOYSA-N
MW317.79 g/mol
LogP2.15
Rot. Bonds5

About 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride

5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride (PubChem CID 168711179) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride
PubChem CID168711179
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride
SMILESCCCOc1ccc(N2CC(S(=O)(=O)Cl)CC2=O)cc1
InChIInChI=1S/C13H16ClNO4S/c1-2-7-19-11-5-3-10(4-6-11)15-9-12(8-13(15)16)20(14,17)18/h3-6,12H,2,7-9H2,1H3
InChIKeyVQOUQZZPWUOVKH-UHFFFAOYSA-N
XLogP2.15
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride 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-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711181
1-(4-propoxyphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708183
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717113
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713785
1-[4-(2-methoxyethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714015
(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 99969292
methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate
CID 10446211
(3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide
CID 95165446
1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711191
S-[[5-oxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168666450
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712479
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712792

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride?
The IUPAC name of 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride (CID 168711179) is 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride is CCCOc1ccc(N2CC(S(=O)(=O)Cl)CC2=O)cc1.
What is the InChIKey of 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride?
The InChIKey is VQOUQZZPWUOVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c1-2-7-19-11-5-3-10(4-6-11)15-9-12(8-13(15)16)20(14,17)18/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride?
5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride has a molecular weight of 317.79 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).