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141776-47-8 molecular structure
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2-(ethanesulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide

ChemBase ID: 90021
Molecular Formular: C9H11N3O4S2
Molecular Mass: 289.33134
Monoisotopic Mass: 289.01909785
SMILES and InChIs

SMILES:
n1c2n(c(c1S(=O)(=O)CC)S(=O)(=O)N)cccc2
Canonical SMILES:
CCS(=O)(=O)c1nc2n(c1S(=O)(=O)N)cccc2
InChI:
InChI=1S/C9H11N3O4S2/c1-2-17(13,14)8-9(18(10,15)16)12-6-4-3-5-7(12)11-8/h3-6H,2H2,1H3,(H2,10,15,16)
InChIKey:
MJVXHAPMFSPZRH-UHFFFAOYSA-N

Cite this record

CBID:90021 http://www.chembase.cn/molecule-90021.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(ethanesulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide
IUPAC Traditional name
2-(ethanesulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide
Synonyms
2-(Ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide
2-(Ethylsulphonyl)imidazo[1,2-a]pyridine-3-sulphonamide
CAS Number
141776-47-8
MDL Number
MFCD09743548
PubChem SID
162076876
PubChem CID
15477602

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15477602 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.272492  H Acceptors
H Donor LogD (pH = 5.5) -0.60143054 
LogD (pH = 7.4) -0.606488  Log P -0.60136557 
Molar Refractivity 66.3303 cm3 Polarizability 26.575375 Å3
Polar Surface Area 111.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant 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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