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

C13H11BrFNO2S — CID 845073

IUPACN-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C13H11BrFNO2S/c1-9-2-7-13(12(14)8-9)16-19(17,18)11-5-3-10(15)4-6-11/h2-8,16H,1H3
InChIKeyMXEJRQFMROTOIT-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.70
Rot. Bonds3

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

N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 845073) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
PubChem CID845073
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC NameN-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C13H11BrFNO2S/c1-9-2-7-13(12(14)8-9)16-19(17,18)11-5-3-10(15)4-6-11/h2-8,16H,1H3
InChIKeyMXEJRQFMROTOIT-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 26979452
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-(2-bromo-4-iodophenyl)-4-methylbenzenesulfonamide
CID 114259559
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-[2-bromo-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 68679977
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
3-amino-N-(2-bromo-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256314
N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide
CID 3852570
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
N-(2-bromo-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 2975037
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
N-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583105

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide (CID 845073) is N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is MXEJRQFMROTOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c1-9-2-7-13(12(14)8-9)16-19(17,18)11-5-3-10(15)4-6-11/h2-8,16H,1H3.
What are the key properties of N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide?
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 344.21 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 845073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).