N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C15H15BrFNO2S — CID 107327344

IUPACN-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2c(C)cc(F)cc2C)c1Br
InChIInChI=1S/C15H15BrFNO2S/c1-9-5-4-6-13(14(9)16)18-21(19,20)15-10(2)7-12(17)8-11(15)3/h4-8,18H,1-3H3
InChIKeyTVROAEVSDRAACP-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.31
Rot. Bonds3

About N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107327344) has the molecular formula C15H15BrFNO2S and a molecular weight of 372.26 g/mol. Its IUPAC name is N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107327344
Molecular FormulaC15H15BrFNO2S
Molecular Weight372.26 g/mol
Exact Mass371.00
IUPAC NameN-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2c(C)cc(F)cc2C)c1Br
InChIInChI=1S/C15H15BrFNO2S/c1-9-5-4-6-13(14(9)16)18-21(19,20)15-10(2)7-12(17)8-11(15)3/h4-8,18H,1-3H3
InChIKeyTVROAEVSDRAACP-UHFFFAOYSA-N
XLogP4.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171680
2-bromo-4,6-difluoro-N-(2-methylphenyl)benzenesulfonamide
CID 26952261
N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326617
3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 107343733
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107528083
N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327698
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326661
4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107326957
3-[(2-bromo-3-methylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102749098
2-bromo-N-(2-bromo-3-chlorophenyl)-4,6-difluorobenzenesulfonamide
CID 103481212
N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326089

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107327344) is N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cccc(NS(=O)(=O)c2c(C)cc(F)cc2C)c1Br.
What is the InChIKey of N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is TVROAEVSDRAACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2S/c1-9-5-4-6-13(14(9)16)18-21(19,20)15-10(2)7-12(17)8-11(15)3/h4-8,18H,1-3H3.
What are the key properties of N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 372.26 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107327344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).