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

C15H14F3N7O2S — CID 134823721

IUPAC3-imidazo[1,2-a]pyridin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cnc3ccccn23)c1C1NNNN1
InChIInChI=1S/C15H14F3N7O2S/c16-15(17,18)9-5-4-8(10-7-20-11-3-1-2-6-25(10)11)12(13(9)28(19,26)27)14-21-23-24-22-14/h1-7,14,21-24H,(H2,19,26,27)
InChIKeyMJJNLALIIKDMBH-UHFFFAOYSA-N
MW413.39 g/mol
LogP0.78
Rot. Bonds3

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

3-imidazo[1,2-a]pyridin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 134823721) has the molecular formula C15H14F3N7O2S and a molecular weight of 413.39 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID134823721
Molecular FormulaC15H14F3N7O2S
Molecular Weight413.39 g/mol
Exact Mass413.09
IUPAC Name3-imidazo[1,2-a]pyridin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cnc3ccccn23)c1C1NNNN1
InChIInChI=1S/C15H14F3N7O2S/c16-15(17,18)9-5-4-8(10-7-20-11-3-1-2-6-25(10)11)12(13(9)28(19,26)27)14-21-23-24-22-14/h1-7,14,21-24H,(H2,19,26,27)
InChIKeyMJJNLALIIKDMBH-UHFFFAOYSA-N
XLogP0.78
TPSA125.58 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 50.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 134823721) is 3-imidazo[1,2-a]pyridin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cnc3ccccn23)c1C1NNNN1.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MJJNLALIIKDMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7O2S/c16-15(17,18)9-5-4-8(10-7-20-11-3-1-2-6-25(10)11)12(13(9)28(19,26)27)14-21-23-24-22-14/h1-7,14,21-24H,(H2,19,26,27).
What are the key properties of 3-imidazo[1,2-a]pyridin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-imidazo[1,2-a]pyridin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 413.39 g/mol, XLogP of 0.78, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134823721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).