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

C19H12BrClF2O3S — CID 157457714

IUPAC4-bromo-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol
SMILESO=S(=O)(Cc1cc(-c2ccccc2)c(F)cc1F)c1cc(Br)cc(Cl)c1O
InChIInChI=1S/C19H12BrClF2O3S/c20-13-7-15(21)19(24)18(8-13)27(25,26)10-12-6-14(17(23)9-16(12)22)11-4-2-1-3-5-11/h1-9,24H,10H2
InChIKeyBTODDIPFJZQZOF-UHFFFAOYSA-N
MW473.72 g/mol
LogP5.73
Rot. Bonds4

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

4-bromo-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol (PubChem CID 157457714) has the molecular formula C19H12BrClF2O3S and a molecular weight of 473.72 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol.

Molecular Properties

Compound Name4-bromo-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol
PubChem CID157457714
Molecular FormulaC19H12BrClF2O3S
Molecular Weight473.72 g/mol
Exact Mass471.93
IUPAC Name4-bromo-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol
SMILESO=S(=O)(Cc1cc(-c2ccccc2)c(F)cc1F)c1cc(Br)cc(Cl)c1O
InChIInChI=1S/C19H12BrClF2O3S/c20-13-7-15(21)19(24)18(8-13)27(25,26)10-12-6-14(17(23)9-16(12)22)11-4-2-1-3-5-11/h1-9,24H,10H2
InChIKeyBTODDIPFJZQZOF-UHFFFAOYSA-N
XLogP5.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.72
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-fluorophenol
CID 148186575
2-Bromo-4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
CID 149322093
2,4-Dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
CID 153492328
4-Bromo-2-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
CID 153492363
2-Chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylphenol
CID 157570543
4-Bromo-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
CID 157728231
2,4-Dichloro-6-[2-(2-fluoro-5-phenylphenyl)ethylsulfonyl]phenol
CID 157742680
2-Chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol
CID 159794463
2-Chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
CID 160808013
2,4-Dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol
CID 161081899
2-[(5-Bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-6-methylsulfonyl-4-(trifluoromethyl)phenol
CID 167536479
4-Bromo-2-chloro-6-[[3-methylsulfonyl-5-(pentafluoro-lambda6-sulfanyl)phenyl]methylsulfonyl]phenol
CID 167610915

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol?
The IUPAC name of 4-bromo-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol (CID 157457714) is 4-bromo-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol.
What is the SMILES notation for 4-bromo-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol?
The canonical SMILES for 4-bromo-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol is O=S(=O)(Cc1cc(-c2ccccc2)c(F)cc1F)c1cc(Br)cc(Cl)c1O.
What is the InChIKey of 4-bromo-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol?
The InChIKey is BTODDIPFJZQZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrClF2O3S/c20-13-7-15(21)19(24)18(8-13)27(25,26)10-12-6-14(17(23)9-16(12)22)11-4-2-1-3-5-11/h1-9,24H,10H2.
What are the key properties of 4-bromo-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol?
4-bromo-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol has a molecular weight of 473.72 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol is sourced from PubChem (CID 157457714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).