N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C11H13FN2O3S — CID 146156641

IUPACN-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)C1CCCN1
InChIInChI=1S/C11H13FN2O3S/c12-8-3-5-9(6-4-8)18(16,17)14-11(15)10-2-1-7-13-10/h3-6,10,13H,1-2,7H2,(H,14,15)
InChIKeyRRHULBCTTOTRCV-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.38
Rot. Bonds3

About N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 146156641) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID146156641
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)C1CCCN1
InChIInChI=1S/C11H13FN2O3S/c12-8-3-5-9(6-4-8)18(16,17)14-11(15)10-2-1-7-13-10/h3-6,10,13H,1-2,7H2,(H,14,15)
InChIKeyRRHULBCTTOTRCV-UHFFFAOYSA-N
XLogP0.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
(2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide
CID 104900564
N-(4-fluorophenyl)sulfonyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 167917231
(2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 102391409
(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 103795165
(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide
CID 45112179
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-[1-(4-fluorophenyl)cyclobutyl]pyrrolidine-2-carboxamide
CID 110461393
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide
CID 119270164
(2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide
CID 79100245
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 146156641) is N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(NS(=O)(=O)c1ccc(F)cc1)C1CCCN1.
What is the InChIKey of N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is RRHULBCTTOTRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c12-8-3-5-9(6-4-8)18(16,17)14-11(15)10-2-1-7-13-10/h3-6,10,13H,1-2,7H2,(H,14,15).
What are the key properties of N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 146156641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).