1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene

C26H20Cl2O4S — CID 6481345

IUPAC1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene
SMILESO=S(=O)(c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H20Cl2O4S/c27-21-5-1-19(2-6-21)17-31-23-9-13-25(14-10-23)33(29,30)26-15-11-24(12-16-26)32-18-20-3-7-22(28)8-4-20/h1-16H,17-18H2
InChIKeyIZFJLXRRDNDSHX-UHFFFAOYSA-N
MW499.42 g/mol
LogP6.98
Rot. Bonds8

About 1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene

1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene (PubChem CID 6481345) has the molecular formula C26H20Cl2O4S and a molecular weight of 499.42 g/mol. Its IUPAC name is 1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene
PubChem CID6481345
Molecular FormulaC26H20Cl2O4S
Molecular Weight499.42 g/mol
Exact Mass498.05
IUPAC Name1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene
SMILESO=S(=O)(c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H20Cl2O4S/c27-21-5-1-19(2-6-21)17-31-23-9-13-25(14-10-23)33(29,30)26-15-11-24(12-16-26)32-18-20-3-7-22(28)8-4-20/h1-16H,17-18H2
InChIKeyIZFJLXRRDNDSHX-UHFFFAOYSA-N
XLogP6.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.42
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene?
The IUPAC name of 1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene (CID 6481345) is 1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene.
What is the SMILES notation for 1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene?
The canonical SMILES for 1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene is O=S(=O)(c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene?
The InChIKey is IZFJLXRRDNDSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2O4S/c27-21-5-1-19(2-6-21)17-31-23-9-13-25(14-10-23)33(29,30)26-15-11-24(12-16-26)32-18-20-3-7-22(28)8-4-20/h1-16H,17-18H2.
What are the key properties of 1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene?
1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene has a molecular weight of 499.42 g/mol, XLogP of 6.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene is sourced from PubChem (CID 6481345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).