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1189968-86-2 molecular structure
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5-(2-azidopropanoyl)-2-methoxybenzene-1-sulfonamide

ChemBase ID: 161029
Molecular Formular: C10H12N4O4S
Molecular Mass: 284.29168
Monoisotopic Mass: 284.05792588
SMILES and InChIs

SMILES:
c1c(c(cc(c1)C(=O)C(C)N=[N+]=[N-])S(=O)(=O)N)OC
Canonical SMILES:
[N-]=[N+]=NC(C(=O)c1ccc(c(c1)S(=O)(=O)N)OC)C
InChI:
InChI=1S/C10H12N4O4S/c1-6(13-14-11)10(15)7-3-4-8(18-2)9(5-7)19(12,16)17/h3-6H,1-2H3,(H2,12,16,17)
InChIKey:
ICHKWKOXWTUWKF-UHFFFAOYSA-N

Cite this record

CBID:161029 http://www.chembase.cn/molecule-161029.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(2-azidopropanoyl)-2-methoxybenzene-1-sulfonamide
IUPAC Traditional name
5-(2-azidopropanoyl)-2-methoxybenzenesulfonamide
Synonyms
5-(2-Azido-1-oxopropyl)-2-methoxybenzenesulfonamide
2-Azido-1-(4'-methoxy-3'-sulfonamidophenyl)-1-propanone
CAS Number
1189968-86-2
PubChem SID
162255164
PubChem CID
13176820

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC A850325 external link Add to cart
PubChem 13176820 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 13176820 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.432634  H Acceptors
H Donor LogD (pH = 5.5) 0.4370229 
LogD (pH = 7.4) 0.433517  Log P 0.5511135 
Molar Refractivity 67.5705 cm3 Polarizability 26.123075 Å3
Polar Surface Area 115.89 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Dioxane expand Show data source
Methanol expand Show data source
Apperance
Tan Solid expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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