5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol

C13H13NO4S — CID 165003603

IUPAC5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol
SMILESCc1ccc(S(=O)(=O)c2ccc(N)c(O)c2)cc1O
InChIInChI=1S/C13H13NO4S/c1-8-2-3-9(6-12(8)15)19(17,18)10-4-5-11(14)13(16)7-10/h2-7,15-16H,14H2,1H3
InChIKeyWPGJNNNKHFEICC-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.82
Rot. Bonds2

About 5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol

5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol (PubChem CID 165003603) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol.

Molecular Properties

Compound Name5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol
PubChem CID165003603
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol
SMILESCc1ccc(S(=O)(=O)c2ccc(N)c(O)c2)cc1O
InChIInChI=1S/C13H13NO4S/c1-8-2-3-9(6-12(8)15)19(17,18)10-4-5-11(14)13(16)7-10/h2-7,15-16H,14H2,1H3
InChIKeyWPGJNNNKHFEICC-UHFFFAOYSA-N
XLogP1.82
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol?
The IUPAC name of 5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol (CID 165003603) is 5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol.
What is the SMILES notation for 5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol?
The canonical SMILES for 5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol is Cc1ccc(S(=O)(=O)c2ccc(N)c(O)c2)cc1O.
What is the InChIKey of 5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol?
The InChIKey is WPGJNNNKHFEICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-8-2-3-9(6-12(8)15)19(17,18)10-4-5-11(14)13(16)7-10/h2-7,15-16H,14H2,1H3.
What are the key properties of 5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol?
5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol has a molecular weight of 279.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol is sourced from PubChem (CID 165003603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).