2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide

C14H9F3N8O2S — CID 118266515

IUPAC2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1-c1nn[nH]n1
InChIInChI=1S/C14H9F3N8O2S/c15-14(16,17)10-4-5-25-8(6-19-13(25)20-10)7-2-1-3-9(28(18,26)27)11(7)12-21-23-24-22-12/h1-6H,(H2,18,26,27)(H,21,22,23,24)
InChIKeyOYDUBPRBUIXQBG-UHFFFAOYSA-N
MW410.34 g/mol
LogP1.24
Rot. Bonds3

About 2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide

2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide (PubChem CID 118266515) has the molecular formula C14H9F3N8O2S and a molecular weight of 410.34 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide
PubChem CID118266515
Molecular FormulaC14H9F3N8O2S
Molecular Weight410.34 g/mol
Exact Mass410.05
IUPAC Name2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1-c1nn[nH]n1
InChIInChI=1S/C14H9F3N8O2S/c15-14(16,17)10-4-5-25-8(6-19-13(25)20-10)7-2-1-3-9(28(18,26)27)11(7)12-21-23-24-22-12/h1-6H,(H2,18,26,27)(H,21,22,23,24)
InChIKeyOYDUBPRBUIXQBG-UHFFFAOYSA-N
XLogP1.24
TPSA144.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide?
The IUPAC name of 2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide (CID 118266515) is 2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1-c1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide?
The InChIKey is OYDUBPRBUIXQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N8O2S/c15-14(16,17)10-4-5-25-8(6-19-13(25)20-10)7-2-1-3-9(28(18,26)27)11(7)12-21-23-24-22-12/h1-6H,(H2,18,26,27)(H,21,22,23,24).
What are the key properties of 2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide?
2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide has a molecular weight of 410.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 118266515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).