2-amino-5-(4-methoxyphenyl)sulfonylphenol

C13H13NO4S — CID 168654688

IUPAC2-amino-5-(4-methoxyphenyl)sulfonylphenol
SMILESCOc1ccc(S(=O)(=O)c2ccc(N)c(O)c2)cc1
InChIInChI=1S/C13H13NO4S/c1-18-9-2-4-10(5-3-9)19(16,17)11-6-7-12(14)13(15)8-11/h2-8,15H,14H2,1H3
InChIKeyOJCODWRIZHLUEF-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.82
Rot. Bonds3

About 2-amino-5-(4-methoxyphenyl)sulfonylphenol

2-amino-5-(4-methoxyphenyl)sulfonylphenol (PubChem CID 168654688) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-amino-5-(4-methoxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name2-amino-5-(4-methoxyphenyl)sulfonylphenol
PubChem CID168654688
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name2-amino-5-(4-methoxyphenyl)sulfonylphenol
SMILESCOc1ccc(S(=O)(=O)c2ccc(N)c(O)c2)cc1
InChIInChI=1S/C13H13NO4S/c1-18-9-2-4-10(5-3-9)19(16,17)11-6-7-12(14)13(15)8-11/h2-8,15H,14H2,1H3
InChIKeyOJCODWRIZHLUEF-UHFFFAOYSA-N
XLogP1.82
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol
CID 165003603
2-amino-5-(4-fluorophenyl)sulfonylphenol
CID 168654683
2-amino-5-(3-aminophenyl)sulfonylphenol
CID 23106831
5-(4-methoxyphenyl)sulfonyl-2-(trifluoromethyl)aniline
CID 57430824
4-(4-methoxyphenyl)sulfonyl-5-methylbenzene-1,2-diol
CID 23312060
2-butyl-4-(4-methoxyphenyl)sulfonylphenol
CID 19967682
iron;6-methoxynaphthalene-2-sulfonic acid
CID 87610362
[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite
CID 118689702
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 3024163
4-(4-chlorophenyl)sulfonyl-2-methoxyaniline
CID 164687562

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-methoxyphenyl)sulfonylphenol?
The IUPAC name of 2-amino-5-(4-methoxyphenyl)sulfonylphenol (CID 168654688) is 2-amino-5-(4-methoxyphenyl)sulfonylphenol.
What is the SMILES notation for 2-amino-5-(4-methoxyphenyl)sulfonylphenol?
The canonical SMILES for 2-amino-5-(4-methoxyphenyl)sulfonylphenol is COc1ccc(S(=O)(=O)c2ccc(N)c(O)c2)cc1.
What is the InChIKey of 2-amino-5-(4-methoxyphenyl)sulfonylphenol?
The InChIKey is OJCODWRIZHLUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-18-9-2-4-10(5-3-9)19(16,17)11-6-7-12(14)13(15)8-11/h2-8,15H,14H2,1H3.
What are the key properties of 2-amino-5-(4-methoxyphenyl)sulfonylphenol?
2-amino-5-(4-methoxyphenyl)sulfonylphenol has a molecular weight of 279.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-methoxyphenyl)sulfonylphenol is sourced from PubChem (CID 168654688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).