Home > Compound List > Compound details
34523-31-4 molecular structure
click picture or here to close

N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide

ChemBase ID: 231211
Molecular Formular: C13H13NO3S
Molecular Mass: 263.31222
Monoisotopic Mass: 263.06161428
SMILES and InChIs

SMILES:
S(=O)(=O)(N(c1ccc(cc1)O)C)c1ccccc1
Canonical SMILES:
Oc1ccc(cc1)N(S(=O)(=O)c1ccccc1)C
InChI:
InChI=1S/C13H13NO3S/c1-14(11-7-9-12(15)10-8-11)18(16,17)13-5-3-2-4-6-13/h2-10,15H,1H3
InChIKey:
KEXHDBRVBCNPPY-UHFFFAOYSA-N

Cite this record

CBID:231211 http://www.chembase.cn/molecule-231211.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
IUPAC Traditional name
N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
Synonyms
N-(4-Hydroxy-phenyl)-N-methyl-benzenesulfonamide
CAS Number
34523-31-4
MDL Number
MFCD00584832
PubChem SID
164287121
PubChem CID
2321747

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-04861 external link Add to cart Please log in.
Data Source Data ID
PubChem 2321747 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.50088  H Acceptors
H Donor LogD (pH = 5.5) 2.3809788 
LogD (pH = 7.4) 2.3776114  Log P 2.3810217 
Molar Refractivity 69.7678 cm3 Polarizability 27.634806 Å3
Polar Surface Area 57.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
131 - 133°C expand Show data source
Hydrophobicity(logP)
2.129 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle