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

C13H10BrF2NO2S — CID 43806698

IUPACN-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-2-3-9(14)6-13(8)17-20(18,19)10-4-5-11(15)12(16)7-10/h2-7,17H,1H3
InChIKeyZXKWJVACTAYGBJ-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.84
Rot. Bonds3

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

N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 43806698) has the molecular formula C13H10BrF2NO2S and a molecular weight of 362.20 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
PubChem CID43806698
Molecular FormulaC13H10BrF2NO2S
Molecular Weight362.20 g/mol
Exact Mass360.96
IUPAC NameN-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-2-3-9(14)6-13(8)17-20(18,19)10-4-5-11(15)12(16)7-10/h2-7,17H,1H3
InChIKeyZXKWJVACTAYGBJ-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-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167025
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 61062760
4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 60824396
N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
CID 19683945
3-amino-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884
N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831795
4-amino-N-(4-bromo-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 82844080
3,4-difluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3838245
2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide
CID 60822685
4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442035

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide (CID 43806698) is N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide is Cc1ccc(Br)cc1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is ZXKWJVACTAYGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2S/c1-8-2-3-9(14)6-13(8)17-20(18,19)10-4-5-11(15)12(16)7-10/h2-7,17H,1H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide?
N-(5-bromo-2-methylphenyl)-3,4-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-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 43806698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).