2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene

C13H9Cl2FO2S — CID 47217445

IUPAC2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene
SMILESO=S(=O)(Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H9Cl2FO2S/c14-10-2-1-9(13(15)7-10)8-19(17,18)12-5-3-11(16)4-6-12/h1-7H,8H2
InChIKeyKMGNNCDGVKVMEW-UHFFFAOYSA-N
MW319.18 g/mol
LogP4.11
Rot. Bonds3

About 2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene

2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene (PubChem CID 47217445) has the molecular formula C13H9Cl2FO2S and a molecular weight of 319.18 g/mol. Its IUPAC name is 2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene
PubChem CID47217445
Molecular FormulaC13H9Cl2FO2S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC Name2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene
SMILESO=S(=O)(Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H9Cl2FO2S/c14-10-2-1-9(13(15)7-10)8-19(17,18)12-5-3-11(16)4-6-12/h1-7H,8H2
InChIKeyKMGNNCDGVKVMEW-UHFFFAOYSA-N
XLogP4.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene?
The IUPAC name of 2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene (CID 47217445) is 2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene is O=S(=O)(Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene?
The InChIKey is KMGNNCDGVKVMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO2S/c14-10-2-1-9(13(15)7-10)8-19(17,18)12-5-3-11(16)4-6-12/h1-7H,8H2.
What are the key properties of 2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene?
2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene has a molecular weight of 319.18 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene is sourced from PubChem (CID 47217445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).