6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide

C13H9F3N6O2S — CID 10287073

IUPAC6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccn2)nc1
InChIInChI=1S/C13H9F3N6O2S/c14-13(15,16)12-20-11(9-3-1-2-6-18-9)22(21-12)10-5-4-8(7-19-10)25(17,23)24/h1-7H,(H2,17,23,24)
InChIKeySWINAGNPKNPFLO-UHFFFAOYSA-N
MW370.32 g/mol
LogP1.39
Rot. Bonds3

About 6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide

6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide (PubChem CID 10287073) has the molecular formula C13H9F3N6O2S and a molecular weight of 370.32 g/mol. Its IUPAC name is 6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide
PubChem CID10287073
Molecular FormulaC13H9F3N6O2S
Molecular Weight370.32 g/mol
Exact Mass370.05
IUPAC Name6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccn2)nc1
InChIInChI=1S/C13H9F3N6O2S/c14-13(15,16)12-20-11(9-3-1-2-6-18-9)22(21-12)10-5-4-8(7-19-10)25(17,23)24/h1-7H,(H2,17,23,24)
InChIKeySWINAGNPKNPFLO-UHFFFAOYSA-N
XLogP1.39
TPSA116.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide (CID 10287073) is 6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccn2)nc1.
What is the InChIKey of 6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide?
The InChIKey is SWINAGNPKNPFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N6O2S/c14-13(15,16)12-20-11(9-3-1-2-6-18-9)22(21-12)10-5-4-8(7-19-10)25(17,23)24/h1-7H,(H2,17,23,24).
What are the key properties of 6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide?
6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide has a molecular weight of 370.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 10287073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).