1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene

C38H24F6O4S — CID 87375821

IUPAC1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene
SMILESCOc1ccc(F)cc1-c1ccc(-c2c(F)cccc2S(=O)(=O)c2cccc(F)c2-c2ccc(-c3cc(F)ccc3OC)cc2F)c(F)c1
InChIInChI=1S/C38H24F6O4S/c1-47-33-15-11-23(39)19-27(33)21-9-13-25(31(43)17-21)37-29(41)5-3-7-35(37)49(45,46)36-8-4-6-30(42)38(36)26-14-10-22(18-32(26)44)28-20-24(40)12-16-34(28)48-2/h3-20H,1-2H3
InChIKeyVQRSLGQHYFBIIO-UHFFFAOYSA-N
MW690.66 g/mol
LogP10.04
Rot. Bonds8

About 1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene

1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene (PubChem CID 87375821) has the molecular formula C38H24F6O4S and a molecular weight of 690.66 g/mol. Its IUPAC name is 1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene
PubChem CID87375821
Molecular FormulaC38H24F6O4S
Molecular Weight690.66 g/mol
Exact Mass690.13
IUPAC Name1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene
SMILESCOc1ccc(F)cc1-c1ccc(-c2c(F)cccc2S(=O)(=O)c2cccc(F)c2-c2ccc(-c3cc(F)ccc3OC)cc2F)c(F)c1
InChIInChI=1S/C38H24F6O4S/c1-47-33-15-11-23(39)19-27(33)21-9-13-25(31(43)17-21)37-29(41)5-3-7-35(37)49(45,46)36-8-4-6-30(42)38(36)26-14-10-22(18-32(26)44)28-20-24(40)12-16-34(28)48-2/h3-20H,1-2H3
InChIKeyVQRSLGQHYFBIIO-UHFFFAOYSA-N
XLogP10.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.66
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene?
The IUPAC name of 1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene (CID 87375821) is 1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene.
What is the SMILES notation for 1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene?
The canonical SMILES for 1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene is COc1ccc(F)cc1-c1ccc(-c2c(F)cccc2S(=O)(=O)c2cccc(F)c2-c2ccc(-c3cc(F)ccc3OC)cc2F)c(F)c1.
What is the InChIKey of 1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene?
The InChIKey is VQRSLGQHYFBIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F6O4S/c1-47-33-15-11-23(39)19-27(33)21-9-13-25(31(43)17-21)37-29(41)5-3-7-35(37)49(45,46)36-8-4-6-30(42)38(36)26-14-10-22(18-32(26)44)28-20-24(40)12-16-34(28)48-2/h3-20H,1-2H3.
What are the key properties of 1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene?
1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene has a molecular weight of 690.66 g/mol, XLogP of 10.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[3-fluoro-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonyl-2-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]benzene is sourced from PubChem (CID 87375821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).