2-amino-4-methylsulfonylphenol

C7H9NO3S — CID 7382

IUPAC2-amino-4-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C7H9NO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
InChIKeySFLMBHYNCSYPOO-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.38
Rot. Bonds1

About 2-amino-4-methylsulfonylphenol

2-amino-4-methylsulfonylphenol (PubChem CID 7382) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-amino-4-methylsulfonylphenol.

Molecular Properties

Compound Name2-amino-4-methylsulfonylphenol
PubChem CID7382
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2-amino-4-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C7H9NO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
InChIKeySFLMBHYNCSYPOO-UHFFFAOYSA-N
XLogP0.38
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-Aminophenol-4-sulfonamide
CID 66814
3-Amino-4-hydroxybenzenesulfonic acid
CID 7385
4,4'-Sulphonylbis(2-aminophenol)
CID 82047
4-((4-Aminophenyl)sulfonyl)phenol
CID 117686
5-Ethylsulphonyl-o-anisidine
CID 79278
Ethanol, 2-[(3-amino-4-methoxyphenyl)sulfonyl]-
CID 81925
2-Amino-4-(ethylsulphonyl)phenol
CID 643218
Phenol, 2-amino-5-[[2-(sulfooxy)ethyl]sulfonyl]-
CID 78454
Phenol, 2-amino-4-[[2-(sulfooxy)ethyl]sulfonyl]-
CID 78455
3-Amino-4-hydroxybenzenesulfonyl fluoride
CID 305677
4-Hydroxymetanilanilide
CID 66453
3-amino-N,N-diethyl-4-hydroxybenzene-1-sulfonamide
CID 3871028

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonylphenol?
The IUPAC name of 2-amino-4-methylsulfonylphenol (CID 7382) is 2-amino-4-methylsulfonylphenol.
What is the SMILES notation for 2-amino-4-methylsulfonylphenol?
The canonical SMILES for 2-amino-4-methylsulfonylphenol is CS(=O)(=O)c1ccc(O)c(N)c1.
What is the InChIKey of 2-amino-4-methylsulfonylphenol?
The InChIKey is SFLMBHYNCSYPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3.
What are the key properties of 2-amino-4-methylsulfonylphenol?
2-amino-4-methylsulfonylphenol has a molecular weight of 187.22 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonylphenol is sourced from PubChem (CID 7382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).