1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene

C13H10Cl2O3S — CID 514859

IUPAC1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene
SMILESCS(=O)(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H10Cl2O3S/c1-19(16,17)11-5-2-9(3-6-11)18-10-4-7-12(14)13(15)8-10/h2-8H,1H3
InChIKeyMFQXXGHKVMJVCU-UHFFFAOYSA-N
MW317.19 g/mol
LogP4.19
Rot. Bonds3

About 1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene

1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene (PubChem CID 514859) has the molecular formula C13H10Cl2O3S and a molecular weight of 317.19 g/mol. Its IUPAC name is 1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene
PubChem CID514859
Molecular FormulaC13H10Cl2O3S
Molecular Weight317.19 g/mol
Exact Mass315.97
IUPAC Name1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene
SMILESCS(=O)(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H10Cl2O3S/c1-19(16,17)11-5-2-9(3-6-11)18-10-4-7-12(14)13(15)8-10/h2-8H,1H3
InChIKeyMFQXXGHKVMJVCU-UHFFFAOYSA-N
XLogP4.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene?
The IUPAC name of 1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene (CID 514859) is 1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene.
What is the SMILES notation for 1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene?
The canonical SMILES for 1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene is CS(=O)(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene?
The InChIKey is MFQXXGHKVMJVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O3S/c1-19(16,17)11-5-2-9(3-6-11)18-10-4-7-12(14)13(15)8-10/h2-8H,1H3.
What are the key properties of 1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene?
1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene has a molecular weight of 317.19 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene is sourced from PubChem (CID 514859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).