1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one

C19H19ClFNO3S — CID 97417185

IUPAC1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19ClFNO3S/c20-15-6-8-16(9-7-15)26(24,25)17-11-12-22(13-17)19(23)10-5-14-3-1-2-4-18(14)21/h1-4,6-9,17H,5,10-13H2/t17-/m0/s1
InChIKeyXUWJFGFWZFKPRU-KRWDZBQOSA-N
MW395.88 g/mol
LogP3.49
Rot. Bonds5

About 1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one

1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one (PubChem CID 97417185) has the molecular formula C19H19ClFNO3S and a molecular weight of 395.88 g/mol. Its IUPAC name is 1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
PubChem CID97417185
Molecular FormulaC19H19ClFNO3S
Molecular Weight395.88 g/mol
Exact Mass395.08
IUPAC Name1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19ClFNO3S/c20-15-6-8-16(9-7-15)26(24,25)17-11-12-22(13-17)19(23)10-5-14-3-1-2-4-18(14)21/h1-4,6-9,17H,5,10-13H2/t17-/m0/s1
InChIKeyXUWJFGFWZFKPRU-KRWDZBQOSA-N
XLogP3.49
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.88
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The IUPAC name of 1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one (CID 97417185) is 1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one is O=C(CCc1ccccc1F)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The InChIKey is XUWJFGFWZFKPRU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19ClFNO3S/c20-15-6-8-16(9-7-15)26(24,25)17-11-12-22(13-17)19(23)10-5-14-3-1-2-4-18(14)21/h1-4,6-9,17H,5,10-13H2/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one?
1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one has a molecular weight of 395.88 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 97417185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).