5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride

C16H14FNO3S — CID 168715472

IUPAC5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14FNO3S/c17-22(20,21)15-10-16(19)18(11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyRYTSZCYBMBKXMA-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.76
Rot. Bonds3

About 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168715472) has the molecular formula C16H14FNO3S and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168715472
Molecular FormulaC16H14FNO3S
Molecular Weight319.36 g/mol
Exact Mass319.07
IUPAC Name5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14FNO3S/c17-22(20,21)15-10-16(19)18(11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyRYTSZCYBMBKXMA-UHFFFAOYSA-N
XLogP2.76
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride 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

5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl fluoride
CID 168715991
1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714211
1-[4-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716006
1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715421
1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709962
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713785
1-[4-(cyanomethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715996
1-[4-(4-bromophenoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715505
5-oxo-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-sulfonyl fluoride
CID 168715480
4-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]butanoic acid
CID 168715999
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715381
1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715519

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride (CID 168715472) is 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is RYTSZCYBMBKXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3S/c17-22(20,21)15-10-16(19)18(11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11H2.
What are the key properties of 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 319.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).