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

C12H12N2O4S — CID 504331

IUPAC5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol
SMILESNc1ccc(S(=O)(=O)c2ccc(N)cc2O)c(O)c1
InChIInChI=1S/C12H12N2O4S/c13-7-1-3-11(9(15)5-7)19(17,18)12-4-2-8(14)6-10(12)16/h1-6,15-16H,13-14H2
InChIKeyMYQNRHKDAHFSQY-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.10
Rot. Bonds2

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

5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol (PubChem CID 504331) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol
PubChem CID504331
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol
SMILESNc1ccc(S(=O)(=O)c2ccc(N)cc2O)c(O)c1
InChIInChI=1S/C12H12N2O4S/c13-7-1-3-11(9(15)5-7)19(17,18)12-4-2-8(14)6-10(12)16/h1-6,15-16H,13-14H2
InChIKeyMYQNRHKDAHFSQY-UHFFFAOYSA-N
XLogP1.10
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)sulfonylbenzene-1,3-diol
CID 23274890
2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid
CID 139847780
4-amino-2-chlorobenzenesulfonamide
CID 12533522
5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-sulfophenyl]sulfonylbenzenesulfonic acid
CID 102323834
5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559
lithium;4-amino-2-hydroxybenzoic acid;hydride
CID 173041117
4-amino-2-sulfanylbenzenesulfonic acid
CID 23287472
4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol
CID 134186097
potassium 5-amino-2-sulfophenolate
CID 101303999
4-methylsulfonylbenzene-1,3-diamine
CID 67023137
2,4-diaminobenzenesulfonyl fluoride
CID 21409472
formaldehyde;2-(2-hydroxyphenyl)sulfonylphenol
CID 6452549

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol?
The IUPAC name of 5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol (CID 504331) is 5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol.
What is the SMILES notation for 5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol?
The canonical SMILES for 5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol is Nc1ccc(S(=O)(=O)c2ccc(N)cc2O)c(O)c1.
What is the InChIKey of 5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol?
The InChIKey is MYQNRHKDAHFSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c13-7-1-3-11(9(15)5-7)19(17,18)12-4-2-8(14)6-10(12)16/h1-6,15-16H,13-14H2.
What are the key properties of 5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol?
5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol has a molecular weight of 280.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol is sourced from PubChem (CID 504331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).