4-(2-aminophenyl)sulfonylphenol

C12H11NO3S — CID 3029840

IUPAC4-(2-aminophenyl)sulfonylphenol
SMILESNc1ccccc1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C12H11NO3S/c13-11-3-1-2-4-12(11)17(15,16)10-7-5-9(14)6-8-10/h1-8,14H,13H2
InChIKeyYYHDBOAKEXXMPX-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.81
Rot. Bonds2

About 4-(2-aminophenyl)sulfonylphenol

4-(2-aminophenyl)sulfonylphenol (PubChem CID 3029840) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-(2-aminophenyl)sulfonylphenol.

Molecular Properties

Compound Name4-(2-aminophenyl)sulfonylphenol
PubChem CID3029840
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name4-(2-aminophenyl)sulfonylphenol
SMILESNc1ccccc1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C12H11NO3S/c13-11-3-1-2-4-12(11)17(15,16)10-7-5-9(14)6-8-10/h1-8,14H,13H2
InChIKeyYYHDBOAKEXXMPX-UHFFFAOYSA-N
XLogP1.81
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phenol, 2-amino-4-(methylsulfonyl)-
CID 7382
4,4'-Sulphonylbis(2-aminophenol)
CID 82047
N-(4-Hydroxyphenyl)benzenesulfonamide
CID 79622
4-((4-Aminophenyl)sulfonyl)phenol
CID 117686
2-Amino-4-(ethylsulphonyl)phenol
CID 643218
Phenyl sulfanilate
CID 4426510
N-(3-Hydroxyphenyl)benzenesulphonamide
CID 97359
4-Hydroxymetanilanilide
CID 66453
Benzenesulfonic acid, 2-amino-, phenyl ester
CID 109844
1,4-Benzenediol, 2-[(4-aminophenyl)sulfonyl]-
CID 257479
4-hydroxy-N-phenylbenzenesulfonamide
CID 9921239
1,3-Benzenediol, 4-[(4-aminophenyl)sulfonyl]-
CID 23274890

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)sulfonylphenol?
The IUPAC name of 4-(2-aminophenyl)sulfonylphenol (CID 3029840) is 4-(2-aminophenyl)sulfonylphenol.
What is the SMILES notation for 4-(2-aminophenyl)sulfonylphenol?
The canonical SMILES for 4-(2-aminophenyl)sulfonylphenol is Nc1ccccc1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-(2-aminophenyl)sulfonylphenol?
The InChIKey is YYHDBOAKEXXMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c13-11-3-1-2-4-12(11)17(15,16)10-7-5-9(14)6-8-10/h1-8,14H,13H2.
What are the key properties of 4-(2-aminophenyl)sulfonylphenol?
4-(2-aminophenyl)sulfonylphenol has a molecular weight of 249.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)sulfonylphenol is sourced from PubChem (CID 3029840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).