2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene

C24H14Br2Cl2O2S — CID 57004658

IUPAC2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene
SMILESO=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1Br)c1ccc(-c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C24H14Br2Cl2O2S/c25-21-13-17(15-1-7-19(27)8-2-15)5-11-23(21)31(29,30)24-12-6-18(14-22(24)26)16-3-9-20(28)10-4-16/h1-14H
InChIKeyRCUQUEPKDVVJCJ-UHFFFAOYSA-N
MW597.16 g/mol
LogP8.69
Rot. Bonds4

About 2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene

2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene (PubChem CID 57004658) has the molecular formula C24H14Br2Cl2O2S and a molecular weight of 597.16 g/mol. Its IUPAC name is 2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene.

Molecular Properties

Compound Name2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene
PubChem CID57004658
Molecular FormulaC24H14Br2Cl2O2S
Molecular Weight597.16 g/mol
Exact Mass593.85
IUPAC Name2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene
SMILESO=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1Br)c1ccc(-c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C24H14Br2Cl2O2S/c25-21-13-17(15-1-7-19(27)8-2-15)5-11-23(21)31(29,30)24-12-6-18(14-22(24)26)16-3-9-20(28)10-4-16/h1-14H
InChIKeyRCUQUEPKDVVJCJ-UHFFFAOYSA-N
XLogP8.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.16
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene?
The IUPAC name of 2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene (CID 57004658) is 2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene.
What is the SMILES notation for 2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene?
The canonical SMILES for 2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene is O=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1Br)c1ccc(-c2ccc(Cl)cc2)cc1Br.
What is the InChIKey of 2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene?
The InChIKey is RCUQUEPKDVVJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Br2Cl2O2S/c25-21-13-17(15-1-7-19(27)8-2-15)5-11-23(21)31(29,30)24-12-6-18(14-22(24)26)16-3-9-20(28)10-4-16/h1-14H.
What are the key properties of 2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene?
2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene has a molecular weight of 597.16 g/mol, XLogP of 8.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-bromo-4-(4-chlorophenyl)phenyl]sulfonyl-4-(4-chlorophenyl)benzene is sourced from PubChem (CID 57004658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).