N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide

C10H9F3N4O2S2 — CID 75476459

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)s1
InChIInChI=1S/C10H9F3N4O2S2/c1-2-8-15-16-9(20-8)17-21(18,19)6-3-4-7(14-5-6)10(11,12)13/h3-5H,2H2,1H3,(H,16,17)
InChIKeyAXLKBNTZTXUFFN-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.32
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 75476459) has the molecular formula C10H9F3N4O2S2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID75476459
Molecular FormulaC10H9F3N4O2S2
Molecular Weight338.34 g/mol
Exact Mass338.01
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)s1
InChIInChI=1S/C10H9F3N4O2S2/c1-2-8-15-16-9(20-8)17-21(18,19)6-3-4-7(14-5-6)10(11,12)13/h3-5H,2H2,1H3,(H,16,17)
InChIKeyAXLKBNTZTXUFFN-UHFFFAOYSA-N
XLogP2.32
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide 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 N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 75476459) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide is CCc1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is AXLKBNTZTXUFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2S2/c1-2-8-15-16-9(20-8)17-21(18,19)6-3-4-7(14-5-6)10(11,12)13/h3-5H,2H2,1H3,(H,16,17).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 338.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 75476459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).