2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide

C14H9F3N8O2S — CID 118257203

IUPAC2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccn3ncnc23)c1-c1nn[nH]n1
InChIInChI=1S/C14H9F3N8O2S/c15-14(16,17)9-4-3-7(8-2-1-5-25-13(8)19-6-20-25)10(11(9)28(18,26)27)12-21-23-24-22-12/h1-6H,(H2,18,26,27)(H,21,22,23,24)
InChIKeyAXMOMQCAKWIDBO-UHFFFAOYSA-N
MW410.34 g/mol
LogP1.24
Rot. Bonds3

About 2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide

2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118257203) has the molecular formula C14H9F3N8O2S and a molecular weight of 410.34 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118257203
Molecular FormulaC14H9F3N8O2S
Molecular Weight410.34 g/mol
Exact Mass410.05
IUPAC Name2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccn3ncnc23)c1-c1nn[nH]n1
InChIInChI=1S/C14H9F3N8O2S/c15-14(16,17)9-4-3-7(8-2-1-5-25-13(8)19-6-20-25)10(11(9)28(18,26)27)12-21-23-24-22-12/h1-6H,(H2,18,26,27)(H,21,22,23,24)
InChIKeyAXMOMQCAKWIDBO-UHFFFAOYSA-N
XLogP1.24
TPSA144.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-amino-2-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 130237841
3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256964
3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 122687759
3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266006
3-(4-piperazin-1-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266386
3-(2-amino-1,3-benzothiazol-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266297
3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266421
3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118265996
6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 122694364
3-[4-[1-(3-aminocyclobutyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266049
3-[4-(azacycloundec-6-ylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 123858922
3-[4-[[4-(aminomethyl)cyclohexyl]amino]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266396

Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118257203) is 2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccn3ncnc23)c1-c1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AXMOMQCAKWIDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N8O2S/c15-14(16,17)9-4-3-7(8-2-1-5-25-13(8)19-6-20-25)10(11(9)28(18,26)27)12-21-23-24-22-12/h1-6H,(H2,18,26,27)(H,21,22,23,24).
What are the key properties of 2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide?
2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 410.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118257203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).