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

C15H18F3N7O2S — CID 134823638

IUPAC3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCn3cncc3C2)c1C1NNNN1
InChIInChI=1S/C15H18F3N7O2S/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/h1-2,6-8,14,21-24H,3-5H2,(H2,19,26,27)
InChIKeyFXXZFMDRMVBEDB-UHFFFAOYSA-N
MW417.42 g/mol
LogP0.39
Rot. Bonds3

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

3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 134823638) has the molecular formula C15H18F3N7O2S and a molecular weight of 417.42 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID134823638
Molecular FormulaC15H18F3N7O2S
Molecular Weight417.42 g/mol
Exact Mass417.12
IUPAC Name3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCn3cncc3C2)c1C1NNNN1
InChIInChI=1S/C15H18F3N7O2S/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/h1-2,6-8,14,21-24H,3-5H2,(H2,19,26,27)
InChIKeyFXXZFMDRMVBEDB-UHFFFAOYSA-N
XLogP0.39
TPSA126.10 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 50.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

3-(Imidazo[1,5-a]pyridin-8-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256845
3-imidazo[1,2-a]pyridin-6-yl-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256906
3-[4-(2-amino-3-methyl-imidazol-4-yl)phenyl]-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823671
3-imidazo[1,2-a]pyridin-3-yl-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823721
3-(2-amino-1-ethyl-1H-benzimidazol-5-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823725
3''-(2-aminopyrimidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)biphenyl-3-sulfonamdie
CID 134823726
3-imidazo[1,2-a]pyrimidin-3-yl-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823685
3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118257134
4''-({[2-(1H-imidazol-4-yl)ethyl]amino}methyl)-2-(1H-tetrazol-5-yl)biphenyl-3-sulfonamide
CID 134823602
3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 134823614
3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256844
3-imidazo[1,2-a]pyridin-3-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266040

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 134823638) is 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCn3cncc3C2)c1C1NNNN1.
What is the InChIKey of 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FXXZFMDRMVBEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N7O2S/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/h1-2,6-8,14,21-24H,3-5H2,(H2,19,26,27).
What are the key properties of 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 417.42 g/mol, XLogP of 0.39, 3 rotatable bonds, 5 hydrogen bond donors, and 8 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-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134823638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).