1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene

C20H14F4O6S2 — CID 143981965

IUPAC1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene
SMILESCOc1ccc(S(=O)(=O)c2ccccc2S(=O)(=O)c2ccc(OC)c(F)c2F)c(F)c1F
InChIInChI=1S/C20H14F4O6S2/c1-29-11-7-9-15(19(23)17(11)21)31(25,26)13-5-3-4-6-14(13)32(27,28)16-10-8-12(30-2)18(22)20(16)24/h3-10H,1-2H3
InChIKeyPKOUZHZWCHDDNG-UHFFFAOYSA-N
MW490.45 g/mol
LogP3.93
Rot. Bonds6

About 1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene

1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene (PubChem CID 143981965) has the molecular formula C20H14F4O6S2 and a molecular weight of 490.45 g/mol. Its IUPAC name is 1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene
PubChem CID143981965
Molecular FormulaC20H14F4O6S2
Molecular Weight490.45 g/mol
Exact Mass490.02
IUPAC Name1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene
SMILESCOc1ccc(S(=O)(=O)c2ccccc2S(=O)(=O)c2ccc(OC)c(F)c2F)c(F)c1F
InChIInChI=1S/C20H14F4O6S2/c1-29-11-7-9-15(19(23)17(11)21)31(25,26)13-5-3-4-6-14(13)32(27,28)16-10-8-12(30-2)18(22)20(16)24/h3-10H,1-2H3
InChIKeyPKOUZHZWCHDDNG-UHFFFAOYSA-N
XLogP3.93
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-3-methoxybenzenesulfonamide
CID 82811316
2-fluoro-3,4-dimethoxybenzenesulfonyl chloride
CID 84708317
1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene
CID 23312101
ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane
CID 125424647
3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine
CID 175083546
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
3-(3-amino-2-benzyl-4-methoxyphenyl)sulfonyl-2-benzyl-6-methoxyaniline
CID 139981068
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
1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone
CID 75527706
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 46022510
N-(2-fluoro-3-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 138995627
(2-methoxy-4-methylphenyl) 2,3,4-trifluorobenzenesulfonate
CID 30327256

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene?
The IUPAC name of 1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene (CID 143981965) is 1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene.
What is the SMILES notation for 1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene?
The canonical SMILES for 1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene is COc1ccc(S(=O)(=O)c2ccccc2S(=O)(=O)c2ccc(OC)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene?
The InChIKey is PKOUZHZWCHDDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4O6S2/c1-29-11-7-9-15(19(23)17(11)21)31(25,26)13-5-3-4-6-14(13)32(27,28)16-10-8-12(30-2)18(22)20(16)24/h3-10H,1-2H3.
What are the key properties of 1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene?
1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene has a molecular weight of 490.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluoro-4-methoxyphenyl)sulfonylphenyl]sulfonyl-2,3-difluoro-4-methoxybenzene is sourced from PubChem (CID 143981965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).