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688798-62-1 molecular structure
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2-bromo-N-ethyl-N-methylbenzene-1-sulfonamide

ChemBase ID: 796930
Molecular Formular: C9H12BrNO2S
Molecular Mass: 278.16608
Monoisotopic Mass: 276.97721163
SMILES and InChIs

SMILES:
c1(c(cccc1)Br)S(=O)(=O)N(C)CC
Canonical SMILES:
CCN(S(=O)(=O)c1ccccc1Br)C
InChI:
InChI=1S/C9H12BrNO2S/c1-3-11(2)14(12,13)9-7-5-4-6-8(9)10/h4-7H,3H2,1-2H3
InChIKey:
WHEJQAOSOOTARQ-UHFFFAOYSA-N

Cite this record

CBID:796930 http://www.chembase.cn/molecule-796930.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-N-ethyl-N-methylbenzene-1-sulfonamide
IUPAC Traditional name
2-bromo-N-ethyl-N-methylbenzenesulfonamide
Synonyms
2-BroMo-N-ethyl-N-MethylbenzenesulfonaMide
CAS Number
688798-62-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4982 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O4982 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1521893  LogD (pH = 7.4) 2.1521893 
Log P 2.1521893  Molar Refractivity 60.3807 cm3
Polarizability 24.001148 Å3 Polar Surface Area 37.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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