4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide

C17H17FN2O3S — CID 42938535

IUPAC4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3S/c18-14-7-3-12(4-8-14)16-2-1-11-20(16)24(22,23)15-9-5-13(6-10-15)17(19)21/h3-10,16H,1-2,11H2,(H2,19,21)
InChIKeyQPQKNZUUMKVVIS-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.45
Rot. Bonds4

About 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide

4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide (PubChem CID 42938535) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide
PubChem CID42938535
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3S/c18-14-7-3-12(4-8-14)16-2-1-11-20(16)24(22,23)15-9-5-13(6-10-15)17(19)21/h3-10,16H,1-2,11H2,(H2,19,21)
InChIKeyQPQKNZUUMKVVIS-UHFFFAOYSA-N
XLogP2.45
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide 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

(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 32681927
4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide
CID 27304150
(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 51856541
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]benzamide
CID 40882510
(2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 90935377
methyl 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoate
CID 42943935
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 47176211
(2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide
CID 96560387

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide?
The IUPAC name of 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide (CID 42938535) is 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide is NC(=O)c1ccc(S(=O)(=O)N2CCCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide?
The InChIKey is QPQKNZUUMKVVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-14-7-3-12(4-8-14)16-2-1-11-20(16)24(22,23)15-9-5-13(6-10-15)17(19)21/h3-10,16H,1-2,11H2,(H2,19,21).
What are the key properties of 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide?
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide has a molecular weight of 348.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 42938535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).