4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide

C15H16F4N4O2S — CID 121022022

IUPAC4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C15H16F4N4O2S/c1-9-6-11(16)3-4-12(9)26(24,25)20-7-14-22-21-13-5-2-10(8-23(13)14)15(17,18)19/h3-4,6,10,20H,2,5,7-8H2,1H3
InChIKeyLANTXECJNNHRJT-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.33
Rot. Bonds4

About 4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide

4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide (PubChem CID 121022022) has the molecular formula C15H16F4N4O2S and a molecular weight of 392.38 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide
PubChem CID121022022
Molecular FormulaC15H16F4N4O2S
Molecular Weight392.38 g/mol
Exact Mass392.09
IUPAC Name4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C15H16F4N4O2S/c1-9-6-11(16)3-4-12(9)26(24,25)20-7-14-22-21-13-5-2-10(8-23(13)14)15(17,18)19/h3-4,6,10,20H,2,5,7-8H2,1H3
InChIKeyLANTXECJNNHRJT-UHFFFAOYSA-N
XLogP2.33
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide 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-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide (CID 121022022) is 4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of 4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide?
The InChIKey is LANTXECJNNHRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N4O2S/c1-9-6-11(16)3-4-12(9)26(24,25)20-7-14-22-21-13-5-2-10(8-23(13)14)15(17,18)19/h3-4,6,10,20H,2,5,7-8H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide has a molecular weight of 392.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121022022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).