2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide

C10H10F3N5O3S — CID 146106146

IUPAC2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide
SMILESCOc1ncccc1S(=O)(=O)Nc1nc(C(F)(F)F)nn1C
InChIInChI=1S/C10H10F3N5O3S/c1-18-9(15-8(16-18)10(11,12)13)17-22(19,20)6-4-3-5-14-7(6)21-2/h3-5H,1-2H3,(H,15,16,17)
InChIKeyPVURODLLTHORPN-UHFFFAOYSA-N
MW337.28 g/mol
LogP1.04
Rot. Bonds4

About 2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide

2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide (PubChem CID 146106146) has the molecular formula C10H10F3N5O3S and a molecular weight of 337.28 g/mol. Its IUPAC name is 2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide
PubChem CID146106146
Molecular FormulaC10H10F3N5O3S
Molecular Weight337.28 g/mol
Exact Mass337.05
IUPAC Name2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide
SMILESCOc1ncccc1S(=O)(=O)Nc1nc(C(F)(F)F)nn1C
InChIInChI=1S/C10H10F3N5O3S/c1-18-9(15-8(16-18)10(11,12)13)17-22(19,20)6-4-3-5-14-7(6)21-2/h3-5H,1-2H3,(H,15,16,17)
InChIKeyPVURODLLTHORPN-UHFFFAOYSA-N
XLogP1.04
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide (CID 146106146) is 2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide is COc1ncccc1S(=O)(=O)Nc1nc(C(F)(F)F)nn1C.
What is the InChIKey of 2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide?
The InChIKey is PVURODLLTHORPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O3S/c1-18-9(15-8(16-18)10(11,12)13)17-22(19,20)6-4-3-5-14-7(6)21-2/h3-5H,1-2H3,(H,15,16,17).
What are the key properties of 2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide?
2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide has a molecular weight of 337.28 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 146106146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).