1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene

C19H13Cl2FO2S — CID 10644380

IUPAC1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene
SMILESCS(=O)(=O)c1ccc(-c2cc(Cl)c(Cl)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H13Cl2FO2S/c1-25(23,24)15-8-4-13(5-9-15)17-11-19(21)18(20)10-16(17)12-2-6-14(22)7-3-12/h2-11H,1H3
InChIKeyANPZZVXVQQYMAD-UHFFFAOYSA-N
MW395.28 g/mol
LogP5.87
Rot. Bonds3

About 1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene

1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene (PubChem CID 10644380) has the molecular formula C19H13Cl2FO2S and a molecular weight of 395.28 g/mol. Its IUPAC name is 1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene
PubChem CID10644380
Molecular FormulaC19H13Cl2FO2S
Molecular Weight395.28 g/mol
Exact Mass394.00
IUPAC Name1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene
SMILESCS(=O)(=O)c1ccc(-c2cc(Cl)c(Cl)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H13Cl2FO2S/c1-25(23,24)15-8-4-13(5-9-15)17-11-19(21)18(20)10-16(17)12-2-6-14(22)7-3-12/h2-11H,1H3
InChIKeyANPZZVXVQQYMAD-UHFFFAOYSA-N
XLogP5.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.28
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene?
The IUPAC name of 1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene (CID 10644380) is 1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene is CS(=O)(=O)c1ccc(-c2cc(Cl)c(Cl)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene?
The InChIKey is ANPZZVXVQQYMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FO2S/c1-25(23,24)15-8-4-13(5-9-15)17-11-19(21)18(20)10-16(17)12-2-6-14(22)7-3-12/h2-11H,1H3.
What are the key properties of 1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene?
1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene has a molecular weight of 395.28 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene is sourced from PubChem (CID 10644380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).