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33529-48-5 molecular structure
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4-amino-N-methoxy-N-methylbenzene-1-sulfonamide

ChemBase ID: 78219
Molecular Formular: C8H12N2O3S
Molecular Mass: 216.25748
Monoisotopic Mass: 216.05686325
SMILES and InChIs

SMILES:
Nc1ccc(cc1)S(=O)(=O)N(C)OC
Canonical SMILES:
CON(S(=O)(=O)c1ccc(cc1)N)C
InChI:
InChI=1S/C8H12N2O3S/c1-10(13-2)14(11,12)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
InChIKey:
DOUAEAXZVWSUCT-UHFFFAOYSA-N

Cite this record

CBID:78219 http://www.chembase.cn/molecule-78219.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-N-methoxy-N-methylbenzene-1-sulfonamide
IUPAC Traditional name
4-amino-N-methoxy-N-methylbenzenesulfonamide
Synonyms
4-amino-N-methoxy-N-methylbenzenesulfonamide
4-Amino-N-methoxy-N-methylbenzenesulphonamide
CAS Number
33529-48-5
MDL Number
MFCD07323332
PubChem SID
162104405
PubChem CID
4962658

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4962658 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.34863445  LogD (pH = 7.4) 0.34880355 
Log P 0.3488057  Molar Refractivity 54.0599 cm3
Polarizability 21.173012 Å3 Polar Surface Area 72.63 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
123 - 125°C expand Show data source
Hydrophobicity(logP)
0.026 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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