1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide

C10H10F3N5O3S — CID 166265973

IUPAC1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)nn1
InChIInChI=1S/C10H10F3N5O3S/c1-18-5-9(15-17-18)22(19,20)16-7-2-3-8(14-4-7)21-6-10(11,12)13/h2-5,16H,6H2,1H3
InChIKeyCYTCOSIISYGSKI-UHFFFAOYSA-N
MW337.28 g/mol
LogP0.95
Rot. Bonds5

About 1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide

1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide (PubChem CID 166265973) has the molecular formula C10H10F3N5O3S and a molecular weight of 337.28 g/mol. Its IUPAC name is 1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide
PubChem CID166265973
Molecular FormulaC10H10F3N5O3S
Molecular Weight337.28 g/mol
Exact Mass337.05
IUPAC Name1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)nn1
InChIInChI=1S/C10H10F3N5O3S/c1-18-5-9(15-17-18)22(19,20)16-7-2-3-8(14-4-7)21-6-10(11,12)13/h2-5,16H,6H2,1H3
InChIKeyCYTCOSIISYGSKI-UHFFFAOYSA-N
XLogP0.95
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide (CID 166265973) is 1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)nn1.
What is the InChIKey of 1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide?
The InChIKey is CYTCOSIISYGSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O3S/c1-18-5-9(15-17-18)22(19,20)16-7-2-3-8(14-4-7)21-6-10(11,12)13/h2-5,16H,6H2,1H3.
What are the key properties of 1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide?
1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide has a molecular weight of 337.28 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide is sourced from PubChem (CID 166265973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).