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56445-08-0 molecular structure
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3-amino-N-ethylbenzene-1-sulfonamide

ChemBase ID: 810443
Molecular Formular: C8H12N2O2S
Molecular Mass: 200.25808
Monoisotopic Mass: 200.06194863
SMILES and InChIs

SMILES:
c1(cc(ccc1)N)S(=O)(=O)NCC
Canonical SMILES:
CCNS(=O)(=O)c1cccc(c1)N
InChI:
InChI=1S/C8H12N2O2S/c1-2-10-13(11,12)8-5-3-4-7(9)6-8/h3-6,10H,2,9H2,1H3
InChIKey:
PGCYKJPSIKCLNX-UHFFFAOYSA-N

Cite this record

CBID:810443 http://www.chembase.cn/molecule-810443.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-N-ethylbenzene-1-sulfonamide
IUPAC Traditional name
3-amino-N-ethylbenzenesulfonamide
Synonyms
3-AMINO-N-ETHYLBENZENESULFONAMIDE
CAS Number
56445-08-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29063 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29063 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.26074  H Acceptors
H Donor LogD (pH = 5.5) 0.33051902 
LogD (pH = 7.4) 0.33030096  Log P 0.33083466 
Molar Refractivity 52.5616 cm3 Polarizability 20.444893 Å3
Polar Surface Area 72.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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