2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide

C13H9Br2Cl2NO2S — CID 81427019

IUPAC2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1Br
InChIInChI=1S/C13H9Br2Cl2NO2S/c1-7-2-12(15)13(6-11(7)14)21(19,20)18-10-4-8(16)3-9(17)5-10/h2-6,18H,1H3
InChIKeyQMQPSKIROLRLGH-UHFFFAOYSA-N
MW474.00 g/mol
LogP5.63
Rot. Bonds3

About 2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide

2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide (PubChem CID 81427019) has the molecular formula C13H9Br2Cl2NO2S and a molecular weight of 474.00 g/mol. Its IUPAC name is 2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide
PubChem CID81427019
Molecular FormulaC13H9Br2Cl2NO2S
Molecular Weight474.00 g/mol
Exact Mass470.81
IUPAC Name2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1Br
InChIInChI=1S/C13H9Br2Cl2NO2S/c1-7-2-12(15)13(6-11(7)14)21(19,20)18-10-4-8(16)3-9(17)5-10/h2-6,18H,1H3
InChIKeyQMQPSKIROLRLGH-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

Analyze 2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-N-(4-iodophenyl)-4-methylbenzenesulfonamide
CID 81327829
5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide
CID 139014532
2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81428591
2,5-dibromo-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104779619
2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
CID 81319576
4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide
CID 22773548
4-chloro-N-(3,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 123943887
N-(4-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327224
2,5-dibromo-N-(2,4-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427013
2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
CID 80707848
2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 81326724
2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 80708187

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide (CID 81427019) is 2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1Br.
What is the InChIKey of 2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is QMQPSKIROLRLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2Cl2NO2S/c1-7-2-12(15)13(6-11(7)14)21(19,20)18-10-4-8(16)3-9(17)5-10/h2-6,18H,1H3.
What are the key properties of 2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide?
2,5-dibromo-N-(3,5-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 2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 81427019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).