N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

C15H14F3N5O5S — CID 58052044

IUPACN-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCOc1cc(OC)n2nc(NS(=O)(=O)c3c(C(F)(F)F)ccnc3OC)nc2c1
InChIInChI=1S/C15H14F3N5O5S/c1-26-8-6-10-20-14(21-23(10)11(7-8)27-2)22-29(24,25)12-9(15(16,17)18)4-5-19-13(12)28-3/h4-7H,1-3H3,(H,21,22)
InChIKeyNDRJOFWSSMKBLS-UHFFFAOYSA-N
MW433.37 g/mol
LogP1.97
Rot. Bonds6

About N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 58052044) has the molecular formula C15H14F3N5O5S and a molecular weight of 433.37 g/mol. Its IUPAC name is N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID58052044
Molecular FormulaC15H14F3N5O5S
Molecular Weight433.37 g/mol
Exact Mass433.07
IUPAC NameN-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCOc1cc(OC)n2nc(NS(=O)(=O)c3c(C(F)(F)F)ccnc3OC)nc2c1
InChIInChI=1S/C15H14F3N5O5S/c1-26-8-6-10-20-14(21-23(10)11(7-8)27-2)22-29(24,25)12-9(15(16,17)18)4-5-19-13(12)28-3/h4-7H,1-3H3,(H,21,22)
InChIKeyNDRJOFWSSMKBLS-UHFFFAOYSA-N
XLogP1.97
TPSA116.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide (CID 58052044) is N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide is COc1cc(OC)n2nc(NS(=O)(=O)c3c(C(F)(F)F)ccnc3OC)nc2c1.
What is the InChIKey of N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is NDRJOFWSSMKBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O5S/c1-26-8-6-10-20-14(21-23(10)11(7-8)27-2)22-29(24,25)12-9(15(16,17)18)4-5-19-13(12)28-3/h4-7H,1-3H3,(H,21,22).
What are the key properties of N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?
N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 433.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 58052044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).