2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol

C13H9ClF2O4S — CID 68843580

IUPAC2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol
SMILESCS(=O)(=O)c1ccc(Oc2cc(F)c(F)cc2O)c(Cl)c1
InChIInChI=1S/C13H9ClF2O4S/c1-21(18,19)7-2-3-12(8(14)4-7)20-13-6-10(16)9(15)5-11(13)17/h2-6,17H,1H3
InChIKeyKLQMBZVAEUQNLN-UHFFFAOYSA-N
MW334.73 g/mol
LogP3.52
Rot. Bonds3

About 2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol

2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol (PubChem CID 68843580) has the molecular formula C13H9ClF2O4S and a molecular weight of 334.73 g/mol. Its IUPAC name is 2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol.

Molecular Properties

Compound Name2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol
PubChem CID68843580
Molecular FormulaC13H9ClF2O4S
Molecular Weight334.73 g/mol
Exact Mass333.99
IUPAC Name2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol
SMILESCS(=O)(=O)c1ccc(Oc2cc(F)c(F)cc2O)c(Cl)c1
InChIInChI=1S/C13H9ClF2O4S/c1-21(18,19)7-2-3-12(8(14)4-7)20-13-6-10(16)9(15)5-11(13)17/h2-6,17H,1H3
InChIKeyKLQMBZVAEUQNLN-UHFFFAOYSA-N
XLogP3.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline
CID 43448156
3-[2-(2-chloro-4-methylsulfonylphenoxy)-4-fluorophenoxy]prop-1-en-2-ol
CID 143006225
3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide
CID 63268736
2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol
CID 126961632
2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid
CID 11711148
5-methylsulfonyl-2-(trifluoromethoxy)phenol
CID 168964303
3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride
CID 61375597
3-[2-(2-chloro-4-methylsulfonylphenoxy)-4-(trifluoromethyl)phenyl]propanoic acid
CID 11625977
(E)-4-(2-chloro-4-methylsulfonylphenoxy)-3-fluorobut-2-en-1-amine
CID 42623112
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)-5-methylsulfonylbenzene
CID 59982347
3-chloro-4-(2,5-dimethylphenoxy)benzenesulfonamide
CID 61373514
1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene
CID 118022172

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol?
The IUPAC name of 2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol (CID 68843580) is 2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol.
What is the SMILES notation for 2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol?
The canonical SMILES for 2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol is CS(=O)(=O)c1ccc(Oc2cc(F)c(F)cc2O)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol?
The InChIKey is KLQMBZVAEUQNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2O4S/c1-21(18,19)7-2-3-12(8(14)4-7)20-13-6-10(16)9(15)5-11(13)17/h2-6,17H,1H3.
What are the key properties of 2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol?
2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol has a molecular weight of 334.73 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol is sourced from PubChem (CID 68843580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).