2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride

C8H4ClF3N4O2S — CID 170968840

IUPAC2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(-c2ccnc(C(F)(F)F)c2)n1
InChIInChI=1S/C8H4ClF3N4O2S/c9-19(17,18)7-4-14-16(15-7)5-1-2-13-6(3-5)8(10,11)12/h1-4H
InChIKeyRFZRIGGBMSBGNB-UHFFFAOYSA-N
MW312.66 g/mol
LogP1.61
Rot. Bonds2

About 2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride

2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride (PubChem CID 170968840) has the molecular formula C8H4ClF3N4O2S and a molecular weight of 312.66 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride
PubChem CID170968840
Molecular FormulaC8H4ClF3N4O2S
Molecular Weight312.66 g/mol
Exact Mass311.97
IUPAC Name2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(-c2ccnc(C(F)(F)F)c2)n1
InChIInChI=1S/C8H4ClF3N4O2S/c9-19(17,18)7-4-14-16(15-7)5-1-2-13-6(3-5)8(10,11)12/h1-4H
InChIKeyRFZRIGGBMSBGNB-UHFFFAOYSA-N
XLogP1.61
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.66
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride?
The IUPAC name of 2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride (CID 170968840) is 2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride.
What is the SMILES notation for 2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride?
The canonical SMILES for 2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(-c2ccnc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride?
The InChIKey is RFZRIGGBMSBGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4O2S/c9-19(17,18)7-4-14-16(15-7)5-1-2-13-6(3-5)8(10,11)12/h1-4H.
What are the key properties of 2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride?
2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride has a molecular weight of 312.66 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride is sourced from PubChem (CID 170968840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).