N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide

C14H10F3N5O2S — CID 55568578

IUPACN-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cncn2)nc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3N5O2S/c15-14(16,17)11-3-1-2-4-12(11)25(23,24)21-10-5-6-13(19-7-10)22-9-18-8-20-22/h1-9,21H
InChIKeyKXMIATXZWPUMGN-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.48
Rot. Bonds4

About N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide

N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 55568578) has the molecular formula C14H10F3N5O2S and a molecular weight of 369.33 g/mol. Its IUPAC name is N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID55568578
Molecular FormulaC14H10F3N5O2S
Molecular Weight369.33 g/mol
Exact Mass369.05
IUPAC NameN-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cncn2)nc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3N5O2S/c15-14(16,17)11-3-1-2-4-12(11)25(23,24)21-10-5-6-13(19-7-10)22-9-18-8-20-22/h1-9,21H
InChIKeyKXMIATXZWPUMGN-UHFFFAOYSA-N
XLogP2.48
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide (CID 55568578) is N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-n2cncn2)nc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KXMIATXZWPUMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2S/c15-14(16,17)11-3-1-2-4-12(11)25(23,24)21-10-5-6-13(19-7-10)22-9-18-8-20-22/h1-9,21H.
What are the key properties of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 369.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55568578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).