5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide

C14H13BrFNO2S — CID 104705322

IUPAC5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1c(C)cccc1F
InChIInChI=1S/C14H13BrFNO2S/c1-9-6-7-11(15)8-13(9)20(18,19)17-14-10(2)4-3-5-12(14)16/h3-8,17H,1-2H3
InChIKeyRITGFRDXAWEBCI-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.01
Rot. Bonds3

About 5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide

5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 104705322) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is 5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID104705322
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC Name5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1c(C)cccc1F
InChIInChI=1S/C14H13BrFNO2S/c1-9-6-7-11(15)8-13(9)20(18,19)17-14-10(2)4-3-5-12(14)16/h3-8,17H,1-2H3
InChIKeyRITGFRDXAWEBCI-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2,3-difluorophenyl)-2-methylbenzenesulfonamide
CID 47336995
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide
CID 60661133
5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62813296
5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 8514846
5-amino-N-(2-bromo-6-fluorophenyl)-2-methylbenzenesulfonamide
CID 107596369
2-amino-5-bromo-N-(2-bromo-6-fluorophenyl)benzenesulfonamide
CID 107596358
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705310
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
4-bromo-N-(2-bromo-6-fluorophenyl)-2-chlorobenzenesulfonamide
CID 103822964
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide (CID 104705322) is 5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1c(C)cccc1F.
What is the InChIKey of 5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is RITGFRDXAWEBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-9-6-7-11(15)8-13(9)20(18,19)17-14-10(2)4-3-5-12(14)16/h3-8,17H,1-2H3.
What are the key properties of 5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide?
5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 358.23 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 104705322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).