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

C14H15N7O2S — CID 118257134

IUPAC3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2CCn3cncc3C2)c1-c1nn[nH]n1
InChIInChI=1S/C14H15N7O2S/c15-24(22,23)12-3-1-2-11(13(12)14-17-19-20-18-14)9-4-5-21-8-16-7-10(21)6-9/h1-3,7-9H,4-6H2,(H2,15,22,23)(H,17,18,19,20)
InChIKeyQLLQRLXQABIFAV-UHFFFAOYSA-N
MW345.39 g/mol
LogP0.44
Rot. Bonds3

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

3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118257134) has the molecular formula C14H15N7O2S and a molecular weight of 345.39 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118257134
Molecular FormulaC14H15N7O2S
Molecular Weight345.39 g/mol
Exact Mass345.10
IUPAC Name3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2CCn3cncc3C2)c1-c1nn[nH]n1
InChIInChI=1S/C14H15N7O2S/c15-24(22,23)12-3-1-2-11(13(12)14-17-19-20-18-14)9-4-5-21-8-16-7-10(21)6-9/h1-3,7-9H,4-6H2,(H2,15,22,23)(H,17,18,19,20)
InChIKeyQLLQRLXQABIFAV-UHFFFAOYSA-N
XLogP0.44
TPSA132.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 50.44
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)benzenesulfonamide?
The IUPAC name of 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118257134) is 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(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)benzenesulfonamide?
The InChIKey is QLLQRLXQABIFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2S/c15-24(22,23)12-3-1-2-11(13(12)14-17-19-20-18-14)9-4-5-21-8-16-7-10(21)6-9/h1-3,7-9H,4-6H2,(H2,15,22,23)(H,17,18,19,20).
What are the key properties of 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 345.39 g/mol, XLogP of 0.44, 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)benzenesulfonamide is sourced from PubChem (CID 118257134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).