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MFCD07368248 molecular structure
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N,N-dimethylpyridine-3-sulfonamide

ChemBase ID: 91363
Molecular Formular: C7H10N2O2S
Molecular Mass: 186.2315
Monoisotopic Mass: 186.04629857
SMILES and InChIs

SMILES:
O=S(=O)(c1cccnc1)N(C)C
Canonical SMILES:
CN(S(=O)(=O)c1cccnc1)C
InChI:
InChI=1S/C7H10N2O2S/c1-9(2)12(10,11)7-4-3-5-8-6-7/h3-6H,1-2H3
InChIKey:
HGZULNNLLFYOFI-UHFFFAOYSA-N

Cite this record

CBID:91363 http://www.chembase.cn/molecule-91363.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethylpyridine-3-sulfonamide
IUPAC Traditional name
N,N-dimethylpyridine-3-sulfonamide
Synonyms
3-N,N-Dimethylsulphamoylpyridine
N,N-Dimethylpyridine-3-sulphonamide 98%
MDL Number
MFCD07368248
PubChem SID
162078062
PubChem CID
12711515

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 12711515 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.19105874  LogD (pH = 7.4) -0.1910439 
Log P -0.1910437  Molar Refractivity 45.8524 cm3
Polarizability 18.426472 Å3 Polar Surface Area 50.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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