N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C15H10F4N4O2S3 — CID 68653806

IUPACN-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nnc(SCc2ccccc2F)s1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H10F4N4O2S3/c16-11-4-2-1-3-9(11)8-26-14-22-21-13(27-14)23-28(24,25)10-5-6-12(20-7-10)15(17,18)19/h1-7H,8H2,(H,21,23)
InChIKeyBFHMBVUTQFRYAI-UHFFFAOYSA-N
MW450.46 g/mol
LogP4.18
Rot. Bonds6

About N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide

N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 68653806) has the molecular formula C15H10F4N4O2S3 and a molecular weight of 450.46 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID68653806
Molecular FormulaC15H10F4N4O2S3
Molecular Weight450.46 g/mol
Exact Mass449.99
IUPAC NameN-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nnc(SCc2ccccc2F)s1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H10F4N4O2S3/c16-11-4-2-1-3-9(11)8-26-14-22-21-13(27-14)23-28(24,25)10-5-6-12(20-7-10)15(17,18)19/h1-7H,8H2,(H,21,23)
InChIKeyBFHMBVUTQFRYAI-UHFFFAOYSA-N
XLogP4.18
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[(2-fluorophenyl)methylsulfanyl]-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-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 68653806) is N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide is O=S(=O)(Nc1nnc(SCc2ccccc2F)s1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is BFHMBVUTQFRYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4O2S3/c16-11-4-2-1-3-9(11)8-26-14-22-21-13(27-14)23-28(24,25)10-5-6-12(20-7-10)15(17,18)19/h1-7H,8H2,(H,21,23).
What are the key properties of N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 450.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 68653806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).