5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide

C13H10BrCl2NO2S — CID 60661381

IUPAC5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10BrCl2NO2S/c1-8-2-3-9(14)6-13(8)20(18,19)17-12-7-10(15)4-5-11(12)16/h2-7,17H,1H3
InChIKeyUURCHEPJXKBBJW-UHFFFAOYSA-N
MW395.11 g/mol
LogP4.87
Rot. Bonds3

About 5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide

5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide (PubChem CID 60661381) has the molecular formula C13H10BrCl2NO2S and a molecular weight of 395.11 g/mol. Its IUPAC name is 5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
PubChem CID60661381
Molecular FormulaC13H10BrCl2NO2S
Molecular Weight395.11 g/mol
Exact Mass392.90
IUPAC Name5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10BrCl2NO2S/c1-8-2-3-9(14)6-13(8)20(18,19)17-12-7-10(15)4-5-11(12)16/h2-7,17H,1H3
InChIKeyUURCHEPJXKBBJW-UHFFFAOYSA-N
XLogP4.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.11
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 8514846
2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 35508307
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 107266690
N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 3697865
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
5-bromo-N-(2,3-difluorophenyl)-2-methylbenzenesulfonamide
CID 47336995
2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171459
methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate
CID 55353794
2-amino-5-bromo-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81262723

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide (CID 60661381) is 5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is UURCHEPJXKBBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2S/c1-8-2-3-9(14)6-13(8)20(18,19)17-12-7-10(15)4-5-11(12)16/h2-7,17H,1H3.
What are the key properties of 5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide?
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide has a molecular weight of 395.11 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 60661381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).