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

C14H19N7O2S — CID 134823614

IUPAC3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cnc3n2CCCC3)c1C1NNNN1
InChIInChI=1S/C14H19N7O2S/c15-24(22,23)11-5-3-4-9(13(11)14-17-19-20-18-14)10-8-16-12-6-1-2-7-21(10)12/h3-5,8,14,17-20H,1-2,6-7H2,(H2,15,22,23)
InChIKeyIBIHARAOKKYIJW-UHFFFAOYSA-N
MW349.42 g/mol
LogP-0.35
Rot. Bonds3

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

3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823614) has the molecular formula C14H19N7O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823614
Molecular FormulaC14H19N7O2S
Molecular Weight349.42 g/mol
Exact Mass349.13
IUPAC Name3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cnc3n2CCCC3)c1C1NNNN1
InChIInChI=1S/C14H19N7O2S/c15-24(22,23)11-5-3-4-9(13(11)14-17-19-20-18-14)10-8-16-12-6-1-2-7-21(10)12/h3-5,8,14,17-20H,1-2,6-7H2,(H2,15,22,23)
InChIKeyIBIHARAOKKYIJW-UHFFFAOYSA-N
XLogP-0.35
TPSA126.10 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 5-0.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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

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Related Compounds

7-Methyl-2-[3-(pyrrolidin-1-ylsulfonyl)phenyl]imidazo[1,2-a]pyridine
CID 941841
3-(Imidazo[1,5-a]pyridin-8-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256845
3-(5,6,7,8-Tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 134823638
3-imidazo[1,2-a]pyridin-3-yl-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823721
6-Methyl-2-[3-(pyrrolidin-1-ylsulfonyl)phenyl]imidazo[1,2-a]pyridine
CID 932339
2-(1H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide
CID 118266515
US10479795, Example 305
CID 132260866
3-imidazo[1,2-a]pyrimidin-3-yl-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823685
US10479795, Example 292
CID 154700431
3-(8-methylimidazo[1,2-a] pyridin-3-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 118265361
3-imidazo[1,2-a]pyridin-3-yl-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 118266539
US10221163, Example 384
CID 124158552

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823614) is 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2cnc3n2CCCC3)c1C1NNNN1.
What is the InChIKey of 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is IBIHARAOKKYIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2S/c15-24(22,23)11-5-3-4-9(13(11)14-17-19-20-18-14)10-8-16-12-6-1-2-7-21(10)12/h3-5,8,14,17-20H,1-2,6-7H2,(H2,15,22,23).
What are the key properties of 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 349.42 g/mol, XLogP of -0.35, 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[1,2-a]pyridin-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).