4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide

C9H11BrFNO3S2 — CID 116528850

IUPAC4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
SMILESCS(=O)CCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO3S2/c1-16(13)5-4-12-17(14,15)9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyCNOGVZKRAODXCI-UHFFFAOYSA-N
MW344.23 g/mol
LogP1.25
Rot. Bonds5

About 4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide

4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide (PubChem CID 116528850) has the molecular formula C9H11BrFNO3S2 and a molecular weight of 344.23 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
PubChem CID116528850
Molecular FormulaC9H11BrFNO3S2
Molecular Weight344.23 g/mol
Exact Mass342.93
IUPAC Name4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
SMILESCS(=O)CCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO3S2/c1-16(13)5-4-12-17(14,15)9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyCNOGVZKRAODXCI-UHFFFAOYSA-N
XLogP1.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116528194
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113237489
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 53364689
4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707308
2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride
CID 116530088
3-[(4-bromo-2-fluorophenyl)sulfonylamino]propanethioamide
CID 116527556

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide (CID 116528850) is 4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide is CS(=O)CCNS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide?
The InChIKey is CNOGVZKRAODXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO3S2/c1-16(13)5-4-12-17(14,15)9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide has a molecular weight of 344.23 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide is sourced from PubChem (CID 116528850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).