4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide

C23H21F5N4O4S — CID 123726695

IUPAC4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1nn(-c2ccc(C(F)(F)F)cc2)cc1CNC(=O)C1CC(F)CN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C23H21F5N4O4S/c1-36-22-14(12-31(30-22)18-7-5-15(6-8-18)23(26,27)28)11-29-21(33)20-10-17(25)13-32(20)37(34,35)19-4-2-3-16(24)9-19/h2-9,12,17,20H,10-11,13H2,1H3,(H,29,33)
InChIKeyWDMXXUBLSSBLHB-UHFFFAOYSA-N
MW544.50 g/mol
LogP3.46
Rot. Bonds7

About 4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide

4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 123726695) has the molecular formula C23H21F5N4O4S and a molecular weight of 544.50 g/mol. Its IUPAC name is 4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID123726695
Molecular FormulaC23H21F5N4O4S
Molecular Weight544.50 g/mol
Exact Mass544.12
IUPAC Name4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1nn(-c2ccc(C(F)(F)F)cc2)cc1CNC(=O)C1CC(F)CN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C23H21F5N4O4S/c1-36-22-14(12-31(30-22)18-7-5-15(6-8-18)23(26,27)28)11-29-21(33)20-10-17(25)13-32(20)37(34,35)19-4-2-3-16(24)9-19/h2-9,12,17,20H,10-11,13H2,1H3,(H,29,33)
InChIKeyWDMXXUBLSSBLHB-UHFFFAOYSA-N
XLogP3.46
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide (CID 123726695) is 4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide is COc1nn(-c2ccc(C(F)(F)F)cc2)cc1CNC(=O)C1CC(F)CN1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is WDMXXUBLSSBLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F5N4O4S/c1-36-22-14(12-31(30-22)18-7-5-15(6-8-18)23(26,27)28)11-29-21(33)20-10-17(25)13-32(20)37(34,35)19-4-2-3-16(24)9-19/h2-9,12,17,20H,10-11,13H2,1H3,(H,29,33).
What are the key properties of 4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 544.50 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123726695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).