4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide

C14H13BrFNO2S2 — CID 107649990

IUPAC4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide
SMILESCCSc1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H13BrFNO2S2/c1-2-20-14-6-4-3-5-13(14)17-21(18,19)10-7-8-11(15)12(16)9-10/h3-9,17H,2H2,1H3
InChIKeyVABHBUSXOBLUGL-UHFFFAOYSA-N
MW390.30 g/mol
LogP4.50
Rot. Bonds5

About 4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide

4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide (PubChem CID 107649990) has the molecular formula C14H13BrFNO2S2 and a molecular weight of 390.30 g/mol. Its IUPAC name is 4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide
PubChem CID107649990
Molecular FormulaC14H13BrFNO2S2
Molecular Weight390.30 g/mol
Exact Mass388.96
IUPAC Name4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide
SMILESCCSc1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H13BrFNO2S2/c1-2-20-14-6-4-3-5-13(14)17-21(18,19)10-7-8-11(15)12(16)9-10/h3-9,17H,2H2,1H3
InChIKeyVABHBUSXOBLUGL-UHFFFAOYSA-N
XLogP4.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide 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-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968
4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide
CID 103710385
N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 28570483
4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 107649996
4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 107650090
4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 107649995
4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide
CID 30396497
4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 103697155
4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103697593
4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 97161969
2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide
CID 61127258
4-bromo-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254293

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide (CID 107649990) is 4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide is CCSc1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide?
The InChIKey is VABHBUSXOBLUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S2/c1-2-20-14-6-4-3-5-13(14)17-21(18,19)10-7-8-11(15)12(16)9-10/h3-9,17H,2H2,1H3.
What are the key properties of 4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide?
4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide has a molecular weight of 390.30 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 107649990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).