4-chloro-2-methylsulfonylphenol

C7H7ClO3S — CID 130032505

IUPAC4-chloro-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C7H7ClO3S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKeyZFAWRYFAUIAJMX-UHFFFAOYSA-N
MW206.65 g/mol
LogP1.45
Rot. Bonds1

About 4-chloro-2-methylsulfonylphenol

4-chloro-2-methylsulfonylphenol (PubChem CID 130032505) has the molecular formula C7H7ClO3S and a molecular weight of 206.65 g/mol. Its IUPAC name is 4-chloro-2-methylsulfonylphenol.

Molecular Properties

Compound Name4-chloro-2-methylsulfonylphenol
PubChem CID130032505
Molecular FormulaC7H7ClO3S
Molecular Weight206.65 g/mol
Exact Mass205.98
IUPAC Name4-chloro-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C7H7ClO3S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKeyZFAWRYFAUIAJMX-UHFFFAOYSA-N
XLogP1.45
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-propylsulfonylphenol
CID 71443861
methyl 5-chloro-2-methylsulfonylbenzoate
CID 66877882
ethyl 5-chloro-2-methylsulfonylbenzoate
CID 82551225
2-bromo-4-chloro-1-methylsulfonylbenzene
CID 75487839
(2S)-2-(4-chloro-2-methylsulfonylphenyl)-2-hydroxyethanesulfonamide
CID 134541612
4-chloro-1-[(2-methylpropan-2-yl)oxymethyl]-2-methylsulfonylbenzene
CID 122676963
(2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate
CID 141360139
N-(5-chloro-2-methylsulfonylphenyl)acetamide
CID 67747671
N-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381199
7-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-ol
CID 136661111
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol
CID 117374971

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfonylphenol?
The IUPAC name of 4-chloro-2-methylsulfonylphenol (CID 130032505) is 4-chloro-2-methylsulfonylphenol.
What is the SMILES notation for 4-chloro-2-methylsulfonylphenol?
The canonical SMILES for 4-chloro-2-methylsulfonylphenol is CS(=O)(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-methylsulfonylphenol?
The InChIKey is ZFAWRYFAUIAJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO3S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4,9H,1H3.
What are the key properties of 4-chloro-2-methylsulfonylphenol?
4-chloro-2-methylsulfonylphenol has a molecular weight of 206.65 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfonylphenol is sourced from PubChem (CID 130032505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).