2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol

C20H15ClF2O5S2 — CID 159794463

IUPAC2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol
SMILESCS(=O)(=O)c1cc(Cl)c(O)c(S(=O)(=O)Cc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C20H15ClF2O5S2/c1-29(25,26)14-8-16(21)20(24)19(9-14)30(27,28)11-13-7-15(18(23)10-17(13)22)12-5-3-2-4-6-12/h2-10,24H,11H2,1H3
InChIKeyNIZKHKUEUFSLFX-UHFFFAOYSA-N
MW472.92 g/mol
LogP4.37
Rot. Bonds5

About 2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol

2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol (PubChem CID 159794463) has the molecular formula C20H15ClF2O5S2 and a molecular weight of 472.92 g/mol. Its IUPAC name is 2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol.

Molecular Properties

Compound Name2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol
PubChem CID159794463
Molecular FormulaC20H15ClF2O5S2
Molecular Weight472.92 g/mol
Exact Mass472.00
IUPAC Name2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol
SMILESCS(=O)(=O)c1cc(Cl)c(O)c(S(=O)(=O)Cc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C20H15ClF2O5S2/c1-29(25,26)14-8-16(21)20(24)19(9-14)30(27,28)11-13-7-15(18(23)10-17(13)22)12-5-3-2-4-6-12/h2-10,24H,11H2,1H3
InChIKeyNIZKHKUEUFSLFX-UHFFFAOYSA-N
XLogP4.37
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.92
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Chloro-4-(trifluoromethylsulfonyl)phenyl] 3-tert-butyl-5-(3,4-difluorophenyl)-2-hydroxybenzenesulfonate
CID 90963183
2,4-Dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol
CID 147557130
2-Chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-fluorophenol
CID 148186575
2,4-Dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
CID 153492328
2,4-Dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol
CID 153492351
4-Chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol
CID 157399683
4-Bromo-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol
CID 157457714
2-Chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylphenol
CID 157570543
2-Chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-(hydroxymethyl)phenol
CID 157591267
2-Chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-(trifluoromethyl)phenol
CID 157728233
2,4-Dichloro-6-[2-(2-fluoro-5-phenylphenyl)ethylsulfonyl]phenol
CID 157742680
2-Chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-(methoxymethyl)phenol
CID 158451113

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol?
The IUPAC name of 2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol (CID 159794463) is 2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol.
What is the SMILES notation for 2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol?
The canonical SMILES for 2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol is CS(=O)(=O)c1cc(Cl)c(O)c(S(=O)(=O)Cc2cc(-c3ccccc3)c(F)cc2F)c1.
What is the InChIKey of 2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol?
The InChIKey is NIZKHKUEUFSLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2O5S2/c1-29(25,26)14-8-16(21)20(24)19(9-14)30(27,28)11-13-7-15(18(23)10-17(13)22)12-5-3-2-4-6-12/h2-10,24H,11H2,1H3.
What are the key properties of 2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol?
2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol has a molecular weight of 472.92 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol is sourced from PubChem (CID 159794463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).