N-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide

C16H14F2N4O2S — CID 23276645

IUPACN-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide
SMILESCCc1nc(S(=O)(=O)Nc2c(F)cccc2F)nn1-c1ccccc1
InChIInChI=1S/C16H14F2N4O2S/c1-2-14-19-16(20-22(14)11-7-4-3-5-8-11)25(23,24)21-15-12(17)9-6-10-13(15)18/h3-10,21H,2H2,1H3
InChIKeyAXIKUXRRPZHEBE-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.91
Rot. Bonds5

About N-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide

N-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide (PubChem CID 23276645) has the molecular formula C16H14F2N4O2S and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide
PubChem CID23276645
Molecular FormulaC16H14F2N4O2S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC NameN-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide
SMILESCCc1nc(S(=O)(=O)Nc2c(F)cccc2F)nn1-c1ccccc1
InChIInChI=1S/C16H14F2N4O2S/c1-2-14-19-16(20-22(14)11-7-4-3-5-8-11)25(23,24)21-15-12(17)9-6-10-13(15)18/h3-10,21H,2H2,1H3
InChIKeyAXIKUXRRPZHEBE-UHFFFAOYSA-N
XLogP2.91
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-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 N-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide (CID 23276645) is N-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide is CCc1nc(S(=O)(=O)Nc2c(F)cccc2F)nn1-c1ccccc1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide?
The InChIKey is AXIKUXRRPZHEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2S/c1-2-14-19-16(20-22(14)11-7-4-3-5-8-11)25(23,24)21-15-12(17)9-6-10-13(15)18/h3-10,21H,2H2,1H3.
What are the key properties of N-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide?
N-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide has a molecular weight of 364.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 23276645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).