3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide

C15H13N7O4S2 — CID 135150020

IUPAC3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccccn23)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C15H13N7O4S2/c1-27(23,24)11-6-5-9(10-8-17-12-4-2-3-7-22(10)12)13(14(11)28(16,25)26)15-18-20-21-19-15/h2-8H,1H3,(H2,16,25,26)(H,18,19,20,21)
InChIKeyPCYQLRMSIWXKPZ-UHFFFAOYSA-N
MW419.45 g/mol
LogP0.23
Rot. Bonds4

About 3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 135150020) has the molecular formula C15H13N7O4S2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID135150020
Molecular FormulaC15H13N7O4S2
Molecular Weight419.45 g/mol
Exact Mass419.05
IUPAC Name3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccccn23)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C15H13N7O4S2/c1-27(23,24)11-6-5-9(10-8-17-12-4-2-3-7-22(10)12)13(14(11)28(16,25)26)15-18-20-21-19-15/h2-8H,1H3,(H2,16,25,26)(H,18,19,20,21)
InChIKeyPCYQLRMSIWXKPZ-UHFFFAOYSA-N
XLogP0.23
TPSA166.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 135150020) is 3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is CS(=O)(=O)c1ccc(-c2cnc3ccccn23)c(-c2nn[nH]n2)c1S(N)(=O)=O.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is PCYQLRMSIWXKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O4S2/c1-27(23,24)11-6-5-9(10-8-17-12-4-2-3-7-22(10)12)13(14(11)28(16,25)26)15-18-20-21-19-15/h2-8H,1H3,(H2,16,25,26)(H,18,19,20,21).
What are the key properties of 3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 419.45 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-3-yl-6-methylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 135150020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).