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25963-47-7 molecular structure
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4-(4-aminobenzenesulfonyl)phenol

ChemBase ID: 160175
Molecular Formular: C12H11NO3S
Molecular Mass: 249.28564
Monoisotopic Mass: 249.04596422
SMILES and InChIs

SMILES:
c1c(ccc(c1)S(=O)(=O)c1ccc(cc1)N)O
Canonical SMILES:
Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O
InChI:
InChI=1S/C12H11NO3S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,14H,13H2
InChIKey:
PSHPCZGANRRQDN-UHFFFAOYSA-N

Cite this record

CBID:160175 http://www.chembase.cn/molecule-160175.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-aminobenzenesulfonyl)phenol
IUPAC Traditional name
4-(4-aminobenzenesulfonyl)phenol
Synonyms
4-[(4-Aminophenyl)sulfonyl]phenol
p-Sulfanilylphenol
4-Amino-4'-hydroxydiphenylsulfone
CAS Number
25963-47-7
PubChem SID
162254310
PubChem CID
117686

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A611225 external link Add to cart
PubChem 117686 external link
Data Source Data ID Price
TRC
A611225 external link Add to cart Please log in.
Data Source Data ID
PubChem 117686 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.724255  H Acceptors
H Donor LogD (pH = 5.5) 1.7928866 
LogD (pH = 7.4) 1.6285653  Log P 1.7955892 
Molar Refractivity 66.2715 cm3 Polarizability 26.130774 Å3
Polar Surface Area 80.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A611225 external link
4-Amino-4'-hydroxydiphenylsulfone is a diaryl sulfone with antileprotic activity. 4-Amino-4'-hydroxydiphenylsulfone is an antibacterial agent.

REFERENCES

REFERENCES

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  • • Colwell, W.T. et al.: J. Med. Chem., 17, 142 (1974)
  • • Agrawal, V.K. et al.: Acta Microb iol. Immunol. Hung., 50, 385 (1974)
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PATENTS

PATENTS

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INTERNET

INTERNET

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