2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

C10H5F6N3O3S2 — CID 71858217

IUPAC2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H5F6N3O3S2/c11-9(12,13)7-17-18-8(23-7)19-24(20,21)6-4-2-1-3-5(6)22-10(14,15)16/h1-4H,(H,18,19)
InChIKeyYMVLUPJVQQXYKI-UHFFFAOYSA-N
MW393.29 g/mol
LogP3.26
Rot. Bonds4

About 2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (PubChem CID 71858217) has the molecular formula C10H5F6N3O3S2 and a molecular weight of 393.29 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
PubChem CID71858217
Molecular FormulaC10H5F6N3O3S2
Molecular Weight393.29 g/mol
Exact Mass392.97
IUPAC Name2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H5F6N3O3S2/c11-9(12,13)7-17-18-8(23-7)19-24(20,21)6-4-2-1-3-5(6)22-10(14,15)16/h1-4H,(H,18,19)
InChIKeyYMVLUPJVQQXYKI-UHFFFAOYSA-N
XLogP3.26
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide 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-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (CID 71858217) is 2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is O=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The InChIKey is YMVLUPJVQQXYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6N3O3S2/c11-9(12,13)7-17-18-8(23-7)19-24(20,21)6-4-2-1-3-5(6)22-10(14,15)16/h1-4H,(H,18,19).
What are the key properties of 2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide has a molecular weight of 393.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 71858217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).