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

C13H11BrFNO2S2 — CID 47309798

IUPAC2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H11BrFNO2S2/c1-19-12-5-3-2-4-11(12)16-20(17,18)13-7-6-9(15)8-10(13)14/h2-8,16H,1H3
InChIKeyNURPMXRHKRWFLY-UHFFFAOYSA-N
MW376.27 g/mol
LogP4.11
Rot. Bonds4

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

2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 47309798) has the molecular formula C13H11BrFNO2S2 and a molecular weight of 376.27 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide
PubChem CID47309798
Molecular FormulaC13H11BrFNO2S2
Molecular Weight376.27 g/mol
Exact Mass374.94
IUPAC Name2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H11BrFNO2S2/c1-19-12-5-3-2-4-11(12)16-20(17,18)13-7-6-9(15)8-10(13)14/h2-8,16H,1H3
InChIKeyNURPMXRHKRWFLY-UHFFFAOYSA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 35507846
2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
CID 154653254
N-[2-(aminomethyl)phenyl]-2-bromo-4-fluorobenzenesulfonamide
CID 64895248
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 47257541
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267
N-[(2-bromo-4-fluorophenyl)methyl]-2-methylsulfanylaniline
CID 103610599
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 103766525

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide (CID 47309798) is 2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide is CSc1ccccc1NS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is NURPMXRHKRWFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S2/c1-19-12-5-3-2-4-11(12)16-20(17,18)13-7-6-9(15)8-10(13)14/h2-8,16H,1H3.
What are the key properties of 2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide?
2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 376.27 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 47309798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).