2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide

C13H9Br2Cl2NO2S — CID 107792937

IUPAC2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)c(Br)c1
InChIInChI=1S/C13H9Br2Cl2NO2S/c1-7-2-5-11(9(15)6-7)21(19,20)18-10-4-3-8(14)12(16)13(10)17/h2-6,18H,1H3
InChIKeyQMQBOVQEIQVKKH-UHFFFAOYSA-N
MW474.00 g/mol
LogP5.63
Rot. Bonds3

About 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide

2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide (PubChem CID 107792937) has the molecular formula C13H9Br2Cl2NO2S and a molecular weight of 474.00 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide
PubChem CID107792937
Molecular FormulaC13H9Br2Cl2NO2S
Molecular Weight474.00 g/mol
Exact Mass470.81
IUPAC Name2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)c(Br)c1
InChIInChI=1S/C13H9Br2Cl2NO2S/c1-7-2-5-11(9(15)6-7)21(19,20)18-10-4-3-8(14)12(16)13(10)17/h2-6,18H,1H3
InChIKeyQMQBOVQEIQVKKH-UHFFFAOYSA-N
XLogP5.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.00
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 35508307
N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
CID 107794350
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 35506490
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 107593575
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
3-amino-N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
CID 107786884
2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 35507846
2-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 103878560
2-bromo-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methylbenzenesulfonamide
CID 35537941
4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 82747202
N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 43259134

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide (CID 107792937) is 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)c(Br)c1.
What is the InChIKey of 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is QMQBOVQEIQVKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2Cl2NO2S/c1-7-2-5-11(9(15)6-7)21(19,20)18-10-4-3-8(14)12(16)13(10)17/h2-6,18H,1H3.
What are the key properties of 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide?
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 474.00 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 107792937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).