1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride

C13H12ClN3O3S — CID 168712813

IUPAC1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1cccc(-n2ccnc2)c1
InChIInChI=1S/C13H12ClN3O3S/c14-21(19,20)12-7-13(18)17(8-12)11-3-1-2-10(6-11)16-5-4-15-9-16/h1-6,9,12H,7-8H2
InChIKeyNKRNZWSWUXUVNT-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.55
Rot. Bonds3

About 1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712813) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712813
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC Name1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1cccc(-n2ccnc2)c1
InChIInChI=1S/C13H12ClN3O3S/c14-21(19,20)12-7-13(18)17(8-12)11-3-1-2-10(6-11)16-5-4-15-9-16/h1-6,9,12H,7-8H2
InChIKeyNKRNZWSWUXUVNT-UHFFFAOYSA-N
XLogP1.55
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-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-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712858
1-[3-[(dimethylamino)methyl]phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711318
1-(2-cyano-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712748
1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712434
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711992
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 111561042
5-oxo-1-(1,10-phenanthrolin-5-yl)pyrrolidine-3-sulfonyl chloride
CID 168712719
1-(2-chloro-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712451
5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide
CID 168719420
(5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 97110267
1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712735

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712813) is 1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1cccc(-n2ccnc2)c1.
What is the InChIKey of 1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is NKRNZWSWUXUVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c14-21(19,20)12-7-13(18)17(8-12)11-3-1-2-10(6-11)16-5-4-15-9-16/h1-6,9,12H,7-8H2.
What are the key properties of 1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 325.78 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).