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

C14H13F3N8O2S — CID 134823685

IUPAC3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cnc3ncccn23)c1C1NNNN1
InChIInChI=1S/C14H13F3N8O2S/c15-14(16,17)8-3-2-7(9-6-20-13-19-4-1-5-25(9)13)10(11(8)28(18,26)27)12-21-23-24-22-12/h1-6,12,21-24H,(H2,18,26,27)
InChIKeyNPUDJWOUELHSOQ-UHFFFAOYSA-N
MW414.37 g/mol
LogP0.18
Rot. Bonds3

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

3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 134823685) has the molecular formula C14H13F3N8O2S and a molecular weight of 414.37 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID134823685
Molecular FormulaC14H13F3N8O2S
Molecular Weight414.37 g/mol
Exact Mass414.08
IUPAC Name3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cnc3ncccn23)c1C1NNNN1
InChIInChI=1S/C14H13F3N8O2S/c15-14(16,17)8-3-2-7(9-6-20-13-19-4-1-5-25(9)13)10(11(8)28(18,26)27)12-21-23-24-22-12/h1-6,12,21-24H,(H2,18,26,27)
InChIKeyNPUDJWOUELHSOQ-UHFFFAOYSA-N
XLogP0.18
TPSA138.47 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.37
LogP ≤ 50.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 134823685) is 3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cnc3ncccn23)c1C1NNNN1.
What is the InChIKey of 3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NPUDJWOUELHSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N8O2S/c15-14(16,17)8-3-2-7(9-6-20-13-19-4-1-5-25(9)13)10(11(8)28(18,26)27)12-21-23-24-22-12/h1-6,12,21-24H,(H2,18,26,27).
What are the key properties of 3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 414.37 g/mol, XLogP of 0.18, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134823685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).