4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C8H5BrFN3O2S2 — CID 71967525

IUPAC4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccc(Br)c(F)c1
InChIInChI=1S/C8H5BrFN3O2S2/c9-6-2-1-5(3-7(6)10)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13)
InChIKeyYHUOPKMHXUZCHQ-UHFFFAOYSA-N
MW338.18 g/mol
LogP2.24
Rot. Bonds3

About 4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 71967525) has the molecular formula C8H5BrFN3O2S2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID71967525
Molecular FormulaC8H5BrFN3O2S2
Molecular Weight338.18 g/mol
Exact Mass336.90
IUPAC Name4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccc(Br)c(F)c1
InChIInChI=1S/C8H5BrFN3O2S2/c9-6-2-1-5(3-7(6)10)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13)
InChIKeyYHUOPKMHXUZCHQ-UHFFFAOYSA-N
XLogP2.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-3-fluoro-N-(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 4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 71967525) is 4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nncs1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is YHUOPKMHXUZCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN3O2S2/c9-6-2-1-5(3-7(6)10)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13).
What are the key properties of 4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 338.18 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71967525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).