1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene

C19H13ClF2O3S — CID 67242320

IUPAC1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene
SMILESCOc1ccc(F)cc1-c1ccc(S(=O)(=O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C19H13ClF2O3S/c1-25-17-8-7-13(21)11-14(17)12-6-9-19(16(22)10-12)26(23,24)18-5-3-2-4-15(18)20/h2-11H,1H3
InChIKeyXAZSZMADFNOIQE-UHFFFAOYSA-N
MW394.83 g/mol
LogP5.13
Rot. Bonds4

About 1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene

1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene (PubChem CID 67242320) has the molecular formula C19H13ClF2O3S and a molecular weight of 394.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene
PubChem CID67242320
Molecular FormulaC19H13ClF2O3S
Molecular Weight394.83 g/mol
Exact Mass394.02
IUPAC Name1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene
SMILESCOc1ccc(F)cc1-c1ccc(S(=O)(=O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C19H13ClF2O3S/c1-25-17-8-7-13(21)11-14(17)12-6-9-19(16(22)10-12)26(23,24)18-5-3-2-4-15(18)20/h2-11H,1H3
InChIKeyXAZSZMADFNOIQE-UHFFFAOYSA-N
XLogP5.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.83
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene (CID 67242320) is 1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene is COc1ccc(F)cc1-c1ccc(S(=O)(=O)c2ccccc2Cl)c(F)c1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene?
The InChIKey is XAZSZMADFNOIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2O3S/c1-25-17-8-7-13(21)11-14(17)12-6-9-19(16(22)10-12)26(23,24)18-5-3-2-4-15(18)20/h2-11H,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene?
1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene has a molecular weight of 394.83 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene is sourced from PubChem (CID 67242320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).