2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide

C15H11F3N4O2S — CID 22772240

IUPAC2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2cccc(F)c2)n1)c1ccc(F)cc1F
InChIInChI=1S/C15H11F3N4O2S/c16-11-3-1-2-10(6-11)8-22-9-19-15(20-22)21-25(23,24)14-5-4-12(17)7-13(14)18/h1-7,9H,8H2,(H,20,21)
InChIKeyXCZZQAJKTNSRGP-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.54
Rot. Bonds5

About 2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide

2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide (PubChem CID 22772240) has the molecular formula C15H11F3N4O2S and a molecular weight of 368.34 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
PubChem CID22772240
Molecular FormulaC15H11F3N4O2S
Molecular Weight368.34 g/mol
Exact Mass368.06
IUPAC Name2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2cccc(F)c2)n1)c1ccc(F)cc1F
InChIInChI=1S/C15H11F3N4O2S/c16-11-3-1-2-10(6-11)8-22-9-19-15(20-22)21-25(23,24)14-5-4-12(17)7-13(14)18/h1-7,9H,8H2,(H,20,21)
InChIKeyXCZZQAJKTNSRGP-UHFFFAOYSA-N
XLogP2.54
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22772226
4-ethoxy-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22772225
N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide
CID 22207182
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 22206753
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771721
4-chloro-N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2,5-dimethylbenzenesulfonamide
CID 22772098
1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole
CID 79784814
1-ethyl-3-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiourea
CID 17282112
N-(1-benzyl-1,2,4-triazol-3-yl)-2,5-dimethylbenzenesulfonamide
CID 4775772
N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
CID 19581941
1-ethyl-3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide
CID 22771804
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,4-difluorobenzenesulfonamide
CID 22206582

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide (CID 22772240) is 2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1ncn(Cc2cccc(F)c2)n1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide?
The InChIKey is XCZZQAJKTNSRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S/c16-11-3-1-2-10(6-11)8-22-9-19-15(20-22)21-25(23,24)14-5-4-12(17)7-13(14)18/h1-7,9H,8H2,(H,20,21).
What are the key properties of 2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide?
2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide has a molecular weight of 368.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 22772240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).