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7019-01-4 molecular structure
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4-(benzenesulfonyl)aniline

ChemBase ID: 176649
Molecular Formular: C12H11NO2S
Molecular Mass: 233.28624
Monoisotopic Mass: 233.0510496
SMILES and InChIs

SMILES:
c1c(ccc(c1)S(=O)(=O)c1ccccc1)N
Canonical SMILES:
Nc1ccc(cc1)S(=O)(=O)c1ccccc1
InChI:
InChI=1S/C12H11NO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H,13H2
InChIKey:
GDYFDXDATVPPDR-UHFFFAOYSA-N

Cite this record

CBID:176649 http://www.chembase.cn/molecule-176649.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(benzenesulfonyl)aniline
IUPAC Traditional name
4-(benzenesulfonyl)aniline
Synonyms
4-(Phenylsulfonyl)benzenamine
p-(Phenylsulfonyl)aniline
4-(Benzenesulfonyl)aniline
4-(Benzenesulphonyl)phenylamine
4-Aminodiphenyl Sulfone
4-Aminophenyl Phenyl Sulfone
4-Phenylsulfonylaniline
Phenyl p-Aminophenyl Sulfone
[4-(Phenylsulfonyl)phenyl]amine
p-Aminodiphenyl Sulfone
p-Aminophenyl Phenyl Sulfone
p-Phenylsulfonylaniline
4-Phenylsulfonylaniline
4-(benzenesulfonyl)aniline
CAS Number
7019-01-4
MDL Number
MFCD00625703
PubChem SID
164232559
PubChem CID
516666

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 516666 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0989902  LogD (pH = 7.4) 2.0991523 
Log P 2.0991545  Molar Refractivity 64.2906 cm3
Polarizability 25.52305 Å3 Polar Surface Area 60.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.903 expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - P336790 external link
4-Phenylsulfonylaniline is used in the preparation of novel Flufenamic acid analogues as inhibitors of androgen receptor mediated transcription.

REFERENCES

REFERENCES

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  • • Kemppainen, J., et al.: J. Biol. Chem., 267, 968 (1992)
  • • Amler, L., et al.: Cancer Res., 60, 6134 (1992)
  • • Klotz, L., et al.: Clin. Prostate Cancer, 3, 215 (1992)
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PATENTS

PATENTS

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INTERNET

INTERNET

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