3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide

C8H5F2N3OS2 — CID 123974328

IUPAC3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide
SMILESO=S(Nc1ncns1)c1ccc(F)c(F)c1
InChIInChI=1S/C8H5F2N3OS2/c9-6-2-1-5(3-7(6)10)16(14)13-8-11-4-12-15-8/h1-4H,(H,11,12,13)
InChIKeyDGWJUCUDXUIOFO-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.95
Rot. Bonds3

About 3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide

3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide (PubChem CID 123974328) has the molecular formula C8H5F2N3OS2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide
PubChem CID123974328
Molecular FormulaC8H5F2N3OS2
Molecular Weight261.28 g/mol
Exact Mass260.98
IUPAC Name3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide
SMILESO=S(Nc1ncns1)c1ccc(F)c(F)c1
InChIInChI=1S/C8H5F2N3OS2/c9-6-2-1-5(3-7(6)10)16(14)13-8-11-4-12-15-8/h1-4H,(H,11,12,13)
InChIKeyDGWJUCUDXUIOFO-UHFFFAOYSA-N
XLogP1.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide 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 3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide?
The IUPAC name of 3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide (CID 123974328) is 3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide.
What is the SMILES notation for 3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide?
The canonical SMILES for 3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide is O=S(Nc1ncns1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide?
The InChIKey is DGWJUCUDXUIOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3OS2/c9-6-2-1-5(3-7(6)10)16(14)13-8-11-4-12-15-8/h1-4H,(H,11,12,13).
What are the key properties of 3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide?
3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide has a molecular weight of 261.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide is sourced from PubChem (CID 123974328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).