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6274-18-6 molecular structure
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3-amino-N,N-dimethylbenzene-1-sulfonamide

ChemBase ID: 16129
Molecular Formular: C8H12N2O2S
Molecular Mass: 200.25808
Monoisotopic Mass: 200.06194863
SMILES and InChIs

SMILES:
S(=O)(=O)(c1cc(N)ccc1)N(C)C
Canonical SMILES:
Nc1cccc(c1)S(=O)(=O)N(C)C
InChI:
InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)8-5-3-4-7(9)6-8/h3-6H,9H2,1-2H3
InChIKey:
APIVVDFBBPFBDZ-UHFFFAOYSA-N

Cite this record

CBID:16129 http://www.chembase.cn/molecule-16129.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-N,N-dimethylbenzene-1-sulfonamide
IUPAC Traditional name
3-amino-N,N-dimethylbenzenesulfonamide
Synonyms
3-Amino-N,N-dimethyl-benzenesulfonamide
CAS Number
6274-18-6
MDL Number
MFCD00602451
PubChem SID
160979436
PubChem CID
235520

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 235520 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.19739904  LogD (pH = 7.4) 0.19769894 
Log P 0.19770277  Molar Refractivity 52.7097 cm3
Polarizability 20.444757 Å3 Polar Surface Area 63.4 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
125 - 127°C expand Show data source
Hydrophobicity(logP)
0.61 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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