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

C15H10F3N7O2S — CID 118256906

IUPAC3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc3nccn3c2)c1-c1nn[nH]n1
InChIInChI=1S/C15H10F3N7O2S/c16-15(17,18)10-3-2-9(8-1-4-11-20-5-6-25(11)7-8)12(13(10)28(19,26)27)14-21-23-24-22-14/h1-7H,(H2,19,26,27)(H,21,22,23,24)
InChIKeyPFRNSTVHCRBTSN-UHFFFAOYSA-N
MW409.35 g/mol
LogP1.85
Rot. Bonds3

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

3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118256906) has the molecular formula C15H10F3N7O2S and a molecular weight of 409.35 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118256906
Molecular FormulaC15H10F3N7O2S
Molecular Weight409.35 g/mol
Exact Mass409.06
IUPAC Name3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc3nccn3c2)c1-c1nn[nH]n1
InChIInChI=1S/C15H10F3N7O2S/c16-15(17,18)10-3-2-9(8-1-4-11-20-5-6-25(11)7-8)12(13(10)28(19,26)27)14-21-23-24-22-14/h1-7H,(H2,19,26,27)(H,21,22,23,24)
InChIKeyPFRNSTVHCRBTSN-UHFFFAOYSA-N
XLogP1.85
TPSA131.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118256906) is 3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc3nccn3c2)c1-c1nn[nH]n1.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PFRNSTVHCRBTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N7O2S/c16-15(17,18)10-3-2-9(8-1-4-11-20-5-6-25(11)7-8)12(13(10)28(19,26)27)14-21-23-24-22-14/h1-7H,(H2,19,26,27)(H,21,22,23,24).
What are the key properties of 3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 409.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118256906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).