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65938-79-6 molecular structure
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3-methylpyridine-2-sulfonamide

ChemBase ID: 796916
Molecular Formular: C6H8N2O2S
Molecular Mass: 172.20492
Monoisotopic Mass: 172.03064851
SMILES and InChIs

SMILES:
n1c(c(ccc1)C)S(=O)(=O)N
Canonical SMILES:
Cc1cccnc1S(=O)(=O)N
InChI:
InChI=1S/C6H8N2O2S/c1-5-3-2-4-8-6(5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)
InChIKey:
ZOEZYLUVSDCJLS-UHFFFAOYSA-N

Cite this record

CBID:796916 http://www.chembase.cn/molecule-796916.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methylpyridine-2-sulfonamide
IUPAC Traditional name
3-methylpyridine-2-sulfonamide
Synonyms
3-Methylpyridine-2-sulfonaMide
CAS Number
65938-79-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4921 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O4921 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.155332  H Acceptors
H Donor LogD (pH = 5.5) 0.46939796 
LogD (pH = 7.4) 0.46278968  Log P 0.46948308 
Molar Refractivity 41.4137 cm3 Polarizability 16.535275 Å3
Polar Surface Area 73.05 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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