1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene

C24H16Cl2O4S2 — CID 635646

IUPAC1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C24H16Cl2O4S2/c25-19-5-13-23(14-6-19)31(27,28)21-9-1-17(2-10-21)18-3-11-22(12-4-18)32(29,30)24-15-7-20(26)8-16-24/h1-16H
InChIKeyOZUNPRDEUXITBO-UHFFFAOYSA-N
MW503.43 g/mol
LogP6.33
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene

1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene (PubChem CID 635646) has the molecular formula C24H16Cl2O4S2 and a molecular weight of 503.43 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene
PubChem CID635646
Molecular FormulaC24H16Cl2O4S2
Molecular Weight503.43 g/mol
Exact Mass501.99
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C24H16Cl2O4S2/c25-19-5-13-23(14-6-19)31(27,28)21-9-1-17(2-10-21)18-3-11-22(12-4-18)32(29,30)24-15-7-20(26)8-16-24/h1-16H
InChIKeyOZUNPRDEUXITBO-UHFFFAOYSA-N
XLogP6.33
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.43
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene (CID 635646) is 1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene is O=S(=O)(c1ccc(Cl)cc1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene?
The InChIKey is OZUNPRDEUXITBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2O4S2/c25-19-5-13-23(14-6-19)31(27,28)21-9-1-17(2-10-21)18-3-11-22(12-4-18)32(29,30)24-15-7-20(26)8-16-24/h1-16H.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene?
1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene has a molecular weight of 503.43 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-[4-(4-chlorophenyl)sulfonylphenyl]benzene is sourced from PubChem (CID 635646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).