1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene

C19H14F2O3S — CID 67238966

IUPAC1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene
SMILESCOc1ccc(F)cc1-c1ccc(S(=O)(=O)c2ccccc2)c(F)c1
InChIInChI=1S/C19H14F2O3S/c1-24-18-9-8-14(20)12-16(18)13-7-10-19(17(21)11-13)25(22,23)15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyGPLXHPOTNZCTRB-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.47
Rot. Bonds4

About 1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene

1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene (PubChem CID 67238966) has the molecular formula C19H14F2O3S and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene
PubChem CID67238966
Molecular FormulaC19H14F2O3S
Molecular Weight360.38 g/mol
Exact Mass360.06
IUPAC Name1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene
SMILESCOc1ccc(F)cc1-c1ccc(S(=O)(=O)c2ccccc2)c(F)c1
InChIInChI=1S/C19H14F2O3S/c1-24-18-9-8-14(20)12-16(18)13-7-10-19(17(21)11-13)25(22,23)15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyGPLXHPOTNZCTRB-UHFFFAOYSA-N
XLogP4.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene?
The IUPAC name of 1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene (CID 67238966) is 1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene.
What is the SMILES notation for 1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene?
The canonical SMILES for 1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene is COc1ccc(F)cc1-c1ccc(S(=O)(=O)c2ccccc2)c(F)c1.
What is the InChIKey of 1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene?
The InChIKey is GPLXHPOTNZCTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2O3S/c1-24-18-9-8-14(20)12-16(18)13-7-10-19(17(21)11-13)25(22,23)15-5-3-2-4-6-15/h2-12H,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene?
1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene has a molecular weight of 360.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene is sourced from PubChem (CID 67238966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).