(2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride

C7H5Cl3O3S — CID 84810750

IUPAC(2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C7H5Cl3O3S/c8-6-1-4(11)2-7(9)5(6)3-14(10,12)13/h1-2,11H,3H2
InChIKeyTTYKLLCAOFKDTI-UHFFFAOYSA-N
MW275.54 g/mol
LogP2.77
Rot. Bonds2

About (2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride

(2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride (PubChem CID 84810750) has the molecular formula C7H5Cl3O3S and a molecular weight of 275.54 g/mol. Its IUPAC name is (2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride
PubChem CID84810750
Molecular FormulaC7H5Cl3O3S
Molecular Weight275.54 g/mol
Exact Mass273.90
IUPAC Name(2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C7H5Cl3O3S/c8-6-1-4(11)2-7(9)5(6)3-14(10,12)13/h1-2,11H,3H2
InChIKeyTTYKLLCAOFKDTI-UHFFFAOYSA-N
XLogP2.77
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.54
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 117380103
(2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride
CID 117479727
(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride
CID 84809935
(6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 84709005
(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride
CID 117416230
(2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride
CID 84804403
3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol
CID 102369727
(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117458959
3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol
CID 10686994
3,5-dichloro-4-(2-phenylethyl)phenol
CID 67216100
(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride
CID 117349733
(2-formyl-5-hydroxyphenyl)methanesulfonyl chloride
CID 117341340

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride?
The IUPAC name of (2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride (CID 84810750) is (2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1c(Cl)cc(O)cc1Cl.
What is the InChIKey of (2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride?
The InChIKey is TTYKLLCAOFKDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O3S/c8-6-1-4(11)2-7(9)5(6)3-14(10,12)13/h1-2,11H,3H2.
What are the key properties of (2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride?
(2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride has a molecular weight of 275.54 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84810750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).