3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C15H14F3N7O2S — CID 118256844

IUPAC3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCn3cncc3C2)c1-c1nn[nH]n1
InChIInChI=1S/C15H14F3N7O2S/c16-15(17,18)11-2-1-10(8-3-4-25-7-20-6-9(25)5-8)12(13(11)28(19,26)27)14-21-23-24-22-14/h1-2,6-8H,3-5H2,(H2,19,26,27)(H,21,22,23,24)
InChIKeyMEUZEQCMWGOXEV-UHFFFAOYSA-N
MW413.39 g/mol
LogP1.46
Rot. Bonds3

About 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118256844) has the molecular formula C15H14F3N7O2S and a molecular weight of 413.39 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118256844
Molecular FormulaC15H14F3N7O2S
Molecular Weight413.39 g/mol
Exact Mass413.09
IUPAC Name3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCn3cncc3C2)c1-c1nn[nH]n1
InChIInChI=1S/C15H14F3N7O2S/c16-15(17,18)11-2-1-10(8-3-4-25-7-20-6-9(25)5-8)12(13(11)28(19,26)27)14-21-23-24-22-14/h1-2,6-8H,3-5H2,(H2,19,26,27)(H,21,22,23,24)
InChIKeyMEUZEQCMWGOXEV-UHFFFAOYSA-N
XLogP1.46
TPSA132.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118256844) is 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCn3cncc3C2)c1-c1nn[nH]n1.
What is the InChIKey of 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MEUZEQCMWGOXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7O2S/c16-15(17,18)11-2-1-10(8-3-4-25-7-20-6-9(25)5-8)12(13(11)28(19,26)27)14-21-23-24-22-14/h1-2,6-8H,3-5H2,(H2,19,26,27)(H,21,22,23,24).
What are the key properties of 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 413.39 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118256844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).