1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene

C12H6Br2Cl2O2S — CID 2388443

IUPAC1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene
SMILESO=S(=O)(c1ccc(Br)c(Cl)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H6Br2Cl2O2S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6H
InChIKeyNRCLGXXRHZAIDE-UHFFFAOYSA-N
MW444.96 g/mol
LogP5.35
Rot. Bonds2

About 1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene

1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene (PubChem CID 2388443) has the molecular formula C12H6Br2Cl2O2S and a molecular weight of 444.96 g/mol. Its IUPAC name is 1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene.

Molecular Properties

Compound Name1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene
PubChem CID2388443
Molecular FormulaC12H6Br2Cl2O2S
Molecular Weight444.96 g/mol
Exact Mass441.78
IUPAC Name1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene
SMILESO=S(=O)(c1ccc(Br)c(Cl)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H6Br2Cl2O2S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6H
InChIKeyNRCLGXXRHZAIDE-UHFFFAOYSA-N
XLogP5.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.96
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene 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-chloro-4-(3-chloro-4-sulfidophenyl)sulfonylbenzenethiolate
CID 7241638
2-(4-bromo-3-chlorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 134367202
4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 19683886
1-bromo-4-[4-bromo-3-(trifluoromethyl)phenyl]sulfonyl-2-(trifluoromethyl)benzene
CID 175050913
1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene
CID 90274683
4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 134367233
4-bromo-3-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 134367119
5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide
CID 76852477
4-amino-3-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107618470
dipotassium;2-chloro-5-(4-chloro-3-sulfonatophenyl)sulfonylbenzenesulfonate
CID 23071661
1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725927
1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine
CID 134367190

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene?
The IUPAC name of 1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene (CID 2388443) is 1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene.
What is the SMILES notation for 1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene?
The canonical SMILES for 1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene is O=S(=O)(c1ccc(Br)c(Cl)c1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene?
The InChIKey is NRCLGXXRHZAIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2Cl2O2S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6H.
What are the key properties of 1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene?
1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene has a molecular weight of 444.96 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene is sourced from PubChem (CID 2388443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).