N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide

C13H10BrF2NO2S — CID 26979452

IUPACN-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)c(Br)c1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-2-3-13(12(14)4-8)17-20(18,19)11-6-9(15)5-10(16)7-11/h2-7,17H,1H3
InChIKeyUXKPIOLJPSNMDJ-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.84
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide

N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide (PubChem CID 26979452) has the molecular formula C13H10BrF2NO2S and a molecular weight of 362.20 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide
PubChem CID26979452
Molecular FormulaC13H10BrF2NO2S
Molecular Weight362.20 g/mol
Exact Mass360.96
IUPAC NameN-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)c(Br)c1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-2-3-13(12(14)4-8)17-20(18,19)11-6-9(15)5-10(16)7-11/h2-7,17H,1H3
InChIKeyUXKPIOLJPSNMDJ-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-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 46800107
3-amino-N-(2-bromo-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256314
N-(2-bromo-4-methylphenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106042562
4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 43258134
N-(2-bromo-4-iodophenyl)-4-methylbenzenesulfonamide
CID 114259559
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
N-[2-bromo-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 68679977
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
N-(2-bromo-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 2975037
3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 26979454
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide (CID 26979452) is N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide?
The InChIKey is UXKPIOLJPSNMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2S/c1-8-2-3-13(12(14)4-8)17-20(18,19)11-6-9(15)5-10(16)7-11/h2-7,17H,1H3.
What are the key properties of N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide?
N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide 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-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 26979452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).