(2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide

C12H14F2N2O3S — CID 104900564

IUPAC(2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCCN1
InChIInChI=1S/C12H14F2N2O3S/c13-12(14)20(18,19)9-5-3-8(4-6-9)16-11(17)10-2-1-7-15-10/h3-6,10,12,15H,1-2,7H2,(H,16,17)/t10-/m1/s1
InChIKeyLYOSISCHKMABHV-SNVBAGLBSA-N
MW304.32 g/mol
LogP1.37
Rot. Bonds4

About (2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide

(2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 104900564) has the molecular formula C12H14F2N2O3S and a molecular weight of 304.32 g/mol. Its IUPAC name is (2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID104900564
Molecular FormulaC12H14F2N2O3S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name(2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCCN1
InChIInChI=1S/C12H14F2N2O3S/c13-12(14)20(18,19)9-5-3-8(4-6-9)16-11(17)10-2-1-7-15-10/h3-6,10,12,15H,1-2,7H2,(H,16,17)/t10-/m1/s1
InChIKeyLYOSISCHKMABHV-SNVBAGLBSA-N
XLogP1.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide 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

N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide
CID 82906170
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 103795165
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide
CID 119270164

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide (CID 104900564) is (2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is LYOSISCHKMABHV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14F2N2O3S/c13-12(14)20(18,19)9-5-3-8(4-6-9)16-11(17)10-2-1-7-15-10/h3-6,10,12,15H,1-2,7H2,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide?
(2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 104900564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).