(3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride

C8H9ClO5S2 — CID 117458220

IUPAC(3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride
SMILESCS(=O)(=O)c1c(O)cccc1CS(=O)(=O)Cl
InChIInChI=1S/C8H9ClO5S2/c1-15(11,12)8-6(5-16(9,13)14)3-2-4-7(8)10/h2-4,10H,5H2,1H3
InChIKeyXQCBEWVZGYKDJX-UHFFFAOYSA-N
MW284.74 g/mol
LogP0.86
Rot. Bonds3

About (3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride

(3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride (PubChem CID 117458220) has the molecular formula C8H9ClO5S2 and a molecular weight of 284.74 g/mol. Its IUPAC name is (3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride
PubChem CID117458220
Molecular FormulaC8H9ClO5S2
Molecular Weight284.74 g/mol
Exact Mass283.96
IUPAC Name(3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride
SMILESCS(=O)(=O)c1c(O)cccc1CS(=O)(=O)Cl
InChIInChI=1S/C8H9ClO5S2/c1-15(11,12)8-6(5-16(9,13)14)3-2-4-7(8)10/h2-4,10H,5H2,1H3
InChIKeyXQCBEWVZGYKDJX-UHFFFAOYSA-N
XLogP0.86
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride
CID 117481130
1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one
CID 117328853
3-(3-hydroxy-2-methylsulfonylphenyl)propanal
CID 117328828
3-(aminooxymethyl)-2-methylsulfonylphenol
CID 117309189
3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol
CID 117355624
3-(3-hydroxy-2-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117399283
2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol
CID 117426876
isoquinolin-8-ylmethanesulfonyl chloride
CID 84702854
2-methyl-3-methylsulfonylbenzene-1,4-diol
CID 130033370
(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride
CID 84713660
3-ethyl-2-methylsulfonylbenzamide;hydrochloride
CID 122516953
1-ethylnaphthalene;prop-2-ene-1-sulfonyl chloride
CID 174651228

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride?
The IUPAC name of (3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride (CID 117458220) is (3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride?
The canonical SMILES for (3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride is CS(=O)(=O)c1c(O)cccc1CS(=O)(=O)Cl.
What is the InChIKey of (3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride?
The InChIKey is XQCBEWVZGYKDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO5S2/c1-15(11,12)8-6(5-16(9,13)14)3-2-4-7(8)10/h2-4,10H,5H2,1H3.
What are the key properties of (3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride?
(3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride has a molecular weight of 284.74 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117458220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).