1-chloro-3-(4-methylsulfonylphenoxy)benzene

C13H11ClO3S — CID 514883

IUPAC1-chloro-3-(4-methylsulfonylphenoxy)benzene
SMILESCS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C13H11ClO3S/c1-18(15,16)13-7-5-11(6-8-13)17-12-4-2-3-10(14)9-12/h2-9H,1H3
InChIKeyDLMKHJPFUNIGAJ-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.54
Rot. Bonds3

About 1-chloro-3-(4-methylsulfonylphenoxy)benzene

1-chloro-3-(4-methylsulfonylphenoxy)benzene (PubChem CID 514883) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is 1-chloro-3-(4-methylsulfonylphenoxy)benzene.

Molecular Properties

Compound Name1-chloro-3-(4-methylsulfonylphenoxy)benzene
PubChem CID514883
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Name1-chloro-3-(4-methylsulfonylphenoxy)benzene
SMILESCS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C13H11ClO3S/c1-18(15,16)13-7-5-11(6-8-13)17-12-4-2-3-10(14)9-12/h2-9H,1H3
InChIKeyDLMKHJPFUNIGAJ-UHFFFAOYSA-N
XLogP3.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-methylsulfonylphenoxy)benzene?
The IUPAC name of 1-chloro-3-(4-methylsulfonylphenoxy)benzene (CID 514883) is 1-chloro-3-(4-methylsulfonylphenoxy)benzene.
What is the SMILES notation for 1-chloro-3-(4-methylsulfonylphenoxy)benzene?
The canonical SMILES for 1-chloro-3-(4-methylsulfonylphenoxy)benzene is CS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-chloro-3-(4-methylsulfonylphenoxy)benzene?
The InChIKey is DLMKHJPFUNIGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c1-18(15,16)13-7-5-11(6-8-13)17-12-4-2-3-10(14)9-12/h2-9H,1H3.
What are the key properties of 1-chloro-3-(4-methylsulfonylphenoxy)benzene?
1-chloro-3-(4-methylsulfonylphenoxy)benzene has a molecular weight of 282.75 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-methylsulfonylphenoxy)benzene is sourced from PubChem (CID 514883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).