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

C14H13BrFNO2S — CID 8514846

IUPAC5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2cc(Br)ccc2C)c1
InChIInChI=1S/C14H13BrFNO2S/c1-9-3-6-12(16)13(7-9)17-20(18,19)14-8-11(15)5-4-10(14)2/h3-8,17H,1-2H3
InChIKeyQXRLCWAMUZHWNY-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.01
Rot. Bonds3

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

5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 8514846) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is 5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID8514846
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC Name5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2cc(Br)ccc2C)c1
InChIInChI=1S/C14H13BrFNO2S/c1-9-3-6-12(16)13(7-9)17-20(18,19)14-8-11(15)5-4-10(14)2/h3-8,17H,1-2H3
InChIKeyQXRLCWAMUZHWNY-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

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

N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 115663206
5-bromo-N-(2,3-difluorophenyl)-2-methylbenzenesulfonamide
CID 47336995
5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62813296
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
CID 104705322
4-amino-2-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 43256663
N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43555520
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide
CID 60661133
N-(4-bromo-2-fluorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2213935

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide (CID 8514846) is 5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide is Cc1ccc(F)c(NS(=O)(=O)c2cc(Br)ccc2C)c1.
What is the InChIKey of 5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is QXRLCWAMUZHWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-9-3-6-12(16)13(7-9)17-20(18,19)14-8-11(15)5-4-10(14)2/h3-8,17H,1-2H3.
What are the key properties of 5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
5-bromo-N-(2-fluoro-5-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-5-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 8514846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).