2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide

C14H12F4N2O3S — CID 171547706

IUPAC2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1cccc(F)c1)S(=O)(=O)c1cc(F)cnc1OC(F)F
InChIInChI=1S/C14H12F4N2O3S/c1-20(8-9-3-2-4-10(15)5-9)24(21,22)12-6-11(16)7-19-13(12)23-14(17)18/h2-7,14H,8H2,1H3
InChIKeyHCMZKJMPALEVPF-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.78
Rot. Bonds6

About 2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide

2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide (PubChem CID 171547706) has the molecular formula C14H12F4N2O3S and a molecular weight of 364.32 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
PubChem CID171547706
Molecular FormulaC14H12F4N2O3S
Molecular Weight364.32 g/mol
Exact Mass364.05
IUPAC Name2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1cccc(F)c1)S(=O)(=O)c1cc(F)cnc1OC(F)F
InChIInChI=1S/C14H12F4N2O3S/c1-20(8-9-3-2-4-10(15)5-9)24(21,22)12-6-11(16)7-19-13(12)23-14(17)18/h2-7,14H,8H2,1H3
InChIKeyHCMZKJMPALEVPF-UHFFFAOYSA-N
XLogP2.78
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide 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 2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide (CID 171547706) is 2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide is CN(Cc1cccc(F)c1)S(=O)(=O)c1cc(F)cnc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is HCMZKJMPALEVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O3S/c1-20(8-9-3-2-4-10(15)5-9)24(21,22)12-6-11(16)7-19-13(12)23-14(17)18/h2-7,14H,8H2,1H3.
What are the key properties of 2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 364.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 171547706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).