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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 2414064
4-fluoro-N-(6-methoxypyridin-3-yl)benzenesulfonamide
CID 736397
US12178809, Example 43
CID 175664799
N-(6-methoxypyridin-3-yl)benzenesulfonamide
CID 2815584
N-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
CID 75498670
N-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
CID 97340071
3-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]triazole-4-sulfonamide
CID 128209495
(2S)-2-methyl-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]sulfonyl]piperazine
CID 164636954
N-(6-methylpyridin-3-yl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 67866413
5-[5-Ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 68514203
5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 90100556
5-[3-(2,2-Difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine
CID 141089722

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).