N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide

C13H10BrF2NO2S — CID 103223902

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H10BrF2NO2S/c1-8-6-11(16)9(14)7-12(8)17-20(18,19)13-5-3-2-4-10(13)15/h2-7,17H,1H3
InChIKeyINZDXXJSLGLKNZ-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.84
Rot. Bonds3

About N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide

N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 103223902) has the molecular formula C13H10BrF2NO2S and a molecular weight of 362.20 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
PubChem CID103223902
Molecular FormulaC13H10BrF2NO2S
Molecular Weight362.20 g/mol
Exact Mass360.96
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H10BrF2NO2S/c1-8-6-11(16)9(14)7-12(8)17-20(18,19)13-5-3-2-4-10(13)15/h2-7,17H,1H3
InChIKeyINZDXXJSLGLKNZ-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 107593575
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884
2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590903
N-(5-amino-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 16773575
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 113349565
N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 103412574
3-amino-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590908
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919
N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 107592640

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide (CID 103223902) is N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide is Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is INZDXXJSLGLKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2S/c1-8-6-11(16)9(14)7-12(8)17-20(18,19)13-5-3-2-4-10(13)15/h2-7,17H,1H3.
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 362.20 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103223902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).