4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide

C13H11BrCl2N2O4S2 — CID 35545610

IUPAC4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1Cl
InChIInChI=1S/C13H11BrCl2N2O4S2/c1-23(19,20)18-12-4-3-9(7-10(12)15)17-24(21,22)13-5-2-8(14)6-11(13)16/h2-7,17-18H,1H3
InChIKeyBUXWJXXAHCBULK-UHFFFAOYSA-N
MW474.19 g/mol
LogP3.93
Rot. Bonds5

About 4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide

4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide (PubChem CID 35545610) has the molecular formula C13H11BrCl2N2O4S2 and a molecular weight of 474.19 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
PubChem CID35545610
Molecular FormulaC13H11BrCl2N2O4S2
Molecular Weight474.19 g/mol
Exact Mass471.87
IUPAC Name4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1Cl
InChIInChI=1S/C13H11BrCl2N2O4S2/c1-23(19,20)18-12-4-3-9(7-10(12)15)17-24(21,22)13-5-2-8(14)6-11(13)16/h2-7,17-18H,1H3
InChIKeyBUXWJXXAHCBULK-UHFFFAOYSA-N
XLogP3.93
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.19
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

Analyze 4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide 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

N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794050
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107577552
N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 7510419
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide
CID 43258121
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
4-bromo-2-chloro-N-(3-iodophenyl)benzenesulfonamide
CID 60640731
methyl 4-[(4-bromo-2-chlorophenyl)sulfonylamino]benzoate
CID 7938713
4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 7510434
2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 39837795

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide (CID 35545610) is 4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide is CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide?
The InChIKey is BUXWJXXAHCBULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O4S2/c1-23(19,20)18-12-4-3-9(7-10(12)15)17-24(21,22)13-5-2-8(14)6-11(13)16/h2-7,17-18H,1H3.
What are the key properties of 4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide?
4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide has a molecular weight of 474.19 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide is sourced from PubChem (CID 35545610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).