(3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride

C7H5ClF2O3S — CID 84801727

IUPAC(3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(F)c(F)c1O
InChIInChI=1S/C7H5ClF2O3S/c8-14(12,13)3-4-1-2-5(9)6(10)7(4)11/h1-2,11H,3H2
InChIKeyLEYSAZRDVDSGQD-UHFFFAOYSA-N
MW242.63 g/mol
LogP1.74
Rot. Bonds2

About (3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride

(3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride (PubChem CID 84801727) has the molecular formula C7H5ClF2O3S and a molecular weight of 242.63 g/mol. Its IUPAC name is (3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride
PubChem CID84801727
Molecular FormulaC7H5ClF2O3S
Molecular Weight242.63 g/mol
Exact Mass241.96
IUPAC Name(3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(F)c(F)c1O
InChIInChI=1S/C7H5ClF2O3S/c8-14(12,13)3-4-1-2-5(9)6(10)7(4)11/h1-2,11H,3H2
InChIKeyLEYSAZRDVDSGQD-UHFFFAOYSA-N
XLogP1.74
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride
CID 84805405
(3-chloro-2,4-difluorophenyl)methanesulfonyl chloride
CID 84806660
(5-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 53401491
(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride
CID 117349733
(3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride
CID 117482561
6-(2,2-dimethylpropyl)-2,3-difluorophenol
CID 58149383
2,3-difluoro-6-(3-hydroxypropyl)phenol
CID 117280989
(5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride
CID 117485801
(3-fluoro-4-pyridinyl)methanesulfonyl chloride
CID 84677272
(3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride
CID 117117336
(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 117425080
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491

Frequently Asked Questions

What is the IUPAC name of (3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride?
The IUPAC name of (3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride (CID 84801727) is (3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc(F)c(F)c1O.
What is the InChIKey of (3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride?
The InChIKey is LEYSAZRDVDSGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O3S/c8-14(12,13)3-4-1-2-5(9)6(10)7(4)11/h1-2,11H,3H2.
What are the key properties of (3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride?
(3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride has a molecular weight of 242.63 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84801727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).