4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene

C13H8Cl2F2O2S — CID 47218620

IUPAC4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene
SMILESO=S(=O)(Cc1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C13H8Cl2F2O2S/c14-9-2-1-8(11(15)5-9)7-20(18,19)10-3-4-12(16)13(17)6-10/h1-6H,7H2
InChIKeyMPIPYLMAZDQVCS-UHFFFAOYSA-N
MW337.17 g/mol
LogP4.25
Rot. Bonds3

About 4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene

4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene (PubChem CID 47218620) has the molecular formula C13H8Cl2F2O2S and a molecular weight of 337.17 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene
PubChem CID47218620
Molecular FormulaC13H8Cl2F2O2S
Molecular Weight337.17 g/mol
Exact Mass335.96
IUPAC Name4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene
SMILESO=S(=O)(Cc1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C13H8Cl2F2O2S/c14-9-2-1-8(11(15)5-9)7-20(18,19)10-3-4-12(16)13(17)6-10/h1-6H,7H2
InChIKeyMPIPYLMAZDQVCS-UHFFFAOYSA-N
XLogP4.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene?
The IUPAC name of 4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene (CID 47218620) is 4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene is O=S(=O)(Cc1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene?
The InChIKey is MPIPYLMAZDQVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2O2S/c14-9-2-1-8(11(15)5-9)7-20(18,19)10-3-4-12(16)13(17)6-10/h1-6H,7H2.
What are the key properties of 4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene?
4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene has a molecular weight of 337.17 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene is sourced from PubChem (CID 47218620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).