N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide

C13H10BrCl2NO3S — CID 3697865

IUPACN-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H10BrCl2NO3S/c1-7-2-3-8(14)4-11(7)17-21(19,20)12-6-9(15)5-10(16)13(12)18/h2-6,17-18H,1H3
InChIKeyMBYPSYCUAJEVGH-UHFFFAOYSA-N
MW411.10 g/mol
LogP4.57
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide

N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide (PubChem CID 3697865) has the molecular formula C13H10BrCl2NO3S and a molecular weight of 411.10 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide
PubChem CID3697865
Molecular FormulaC13H10BrCl2NO3S
Molecular Weight411.10 g/mol
Exact Mass408.89
IUPAC NameN-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H10BrCl2NO3S/c1-7-2-3-8(14)4-11(7)17-21(19,20)12-6-9(15)5-10(16)13(12)18/h2-6,17-18H,1H3
InChIKeyMBYPSYCUAJEVGH-UHFFFAOYSA-N
XLogP4.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.10
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(5-bromo-2-methylphenyl)-5-chloro-2-methylbenzenesulfonamide
CID 114379014
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide
CID 22763232
N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 3773428
5-amino-2-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477
methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate
CID 55353794
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62146330
4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 61036715
5-bromo-3-chloro-2-hydroxy-N-(2-iodophenyl)benzenesulfonamide
CID 146619015
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-bromo-1-methyl-2-(sulfamoylamino)benzene
CID 112573557

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide (CID 3697865) is N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide is Cc1ccc(Br)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide?
The InChIKey is MBYPSYCUAJEVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO3S/c1-7-2-3-8(14)4-11(7)17-21(19,20)12-6-9(15)5-10(16)13(12)18/h2-6,17-18H,1H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide?
N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide has a molecular weight of 411.10 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 3697865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).