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

C38H24F6O4S — CID 87375822

IUPAC2-fluoro-1-[2-fluoro-4-[3-fluoro-4-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-4-(5-fluoro-2-methoxyphenyl)benzene
SMILESCOc1ccc(F)cc1-c1ccc(-c2ccc(S(=O)(=O)c3ccc(-c4ccc(-c5cc(F)ccc5OC)cc4F)c(F)c3)cc2F)c(F)c1
InChIInChI=1S/C38H24F6O4S/c1-47-37-13-5-23(39)17-31(37)21-3-9-27(33(41)15-21)29-11-7-25(19-35(29)43)49(45,46)26-8-12-30(36(44)20-26)28-10-4-22(16-34(28)42)32-18-24(40)6-14-38(32)48-2/h3-20H,1-2H3
InChIKeyMNUYVGPMTWBMHI-UHFFFAOYSA-N
MW690.66 g/mol
LogP10.04
Rot. Bonds8

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

2-fluoro-1-[2-fluoro-4-[3-fluoro-4-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-4-(5-fluoro-2-methoxyphenyl)benzene (PubChem CID 87375822) has the molecular formula C38H24F6O4S and a molecular weight of 690.66 g/mol. Its IUPAC name is 2-fluoro-1-[2-fluoro-4-[3-fluoro-4-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-4-(5-fluoro-2-methoxyphenyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-[2-fluoro-4-[3-fluoro-4-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-4-(5-fluoro-2-methoxyphenyl)benzene
PubChem CID87375822
Molecular FormulaC38H24F6O4S
Molecular Weight690.66 g/mol
Exact Mass690.13
IUPAC Name2-fluoro-1-[2-fluoro-4-[3-fluoro-4-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-4-(5-fluoro-2-methoxyphenyl)benzene
SMILESCOc1ccc(F)cc1-c1ccc(-c2ccc(S(=O)(=O)c3ccc(-c4ccc(-c5cc(F)ccc5OC)cc4F)c(F)c3)cc2F)c(F)c1
InChIInChI=1S/C38H24F6O4S/c1-47-37-13-5-23(39)17-31(37)21-3-9-27(33(41)15-21)29-11-7-25(19-35(29)43)49(45,46)26-8-12-30(36(44)20-26)28-10-4-22(16-34(28)42)32-18-24(40)6-14-38(32)48-2/h3-20H,1-2H3
InChIKeyMNUYVGPMTWBMHI-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 2-fluoro-1-[2-fluoro-4-[3-fluoro-4-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-4-(5-fluoro-2-methoxyphenyl)benzene?
The IUPAC name of 2-fluoro-1-[2-fluoro-4-[3-fluoro-4-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-4-(5-fluoro-2-methoxyphenyl)benzene (CID 87375822) is 2-fluoro-1-[2-fluoro-4-[3-fluoro-4-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-4-(5-fluoro-2-methoxyphenyl)benzene.
What is the SMILES notation for 2-fluoro-1-[2-fluoro-4-[3-fluoro-4-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-4-(5-fluoro-2-methoxyphenyl)benzene?
The canonical SMILES for 2-fluoro-1-[2-fluoro-4-[3-fluoro-4-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-4-(5-fluoro-2-methoxyphenyl)benzene is COc1ccc(F)cc1-c1ccc(-c2ccc(S(=O)(=O)c3ccc(-c4ccc(-c5cc(F)ccc5OC)cc4F)c(F)c3)cc2F)c(F)c1.
What is the InChIKey of 2-fluoro-1-[2-fluoro-4-[3-fluoro-4-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-4-(5-fluoro-2-methoxyphenyl)benzene?
The InChIKey is MNUYVGPMTWBMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F6O4S/c1-47-37-13-5-23(39)17-31(37)21-3-9-27(33(41)15-21)29-11-7-25(19-35(29)43)49(45,46)26-8-12-30(36(44)20-26)28-10-4-22(16-34(28)42)32-18-24(40)6-14-38(32)48-2/h3-20H,1-2H3.
What are the key properties of 2-fluoro-1-[2-fluoro-4-[3-fluoro-4-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-4-(5-fluoro-2-methoxyphenyl)benzene?
2-fluoro-1-[2-fluoro-4-[3-fluoro-4-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-4-(5-fluoro-2-methoxyphenyl)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 2-fluoro-1-[2-fluoro-4-[3-fluoro-4-[2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]phenyl]sulfonylphenyl]-4-(5-fluoro-2-methoxyphenyl)benzene is sourced from PubChem (CID 87375822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).