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24243-71-8 molecular structure
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propane-1-sulfonamide

ChemBase ID: 75431
Molecular Formular: C3H9NO2S
Molecular Mass: 123.17406
Monoisotopic Mass: 123.03539953
SMILES and InChIs

SMILES:
S(=O)(=O)(CCC)N
Canonical SMILES:
CCCS(=O)(=O)N
InChI:
InChI=1S/C3H9NO2S/c1-2-3-7(4,5)6/h2-3H2,1H3,(H2,4,5,6)
InChIKey:
DROIHSMGGKKIJT-UHFFFAOYSA-N

Cite this record

CBID:75431 http://www.chembase.cn/molecule-75431.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
propane-1-sulfonamide
IUPAC Traditional name
propane-1-sulfonamide
Synonyms
1-(Sulphamoyl)propane
Propane-1-sulphonamide 97%
propane-1-sulfonamide
CAS Number
24243-71-8
MDL Number
MFCD03550611
PubChem SID
162040349
PubChem CID
3401849

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3401849 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.119887  H Acceptors
H Donor LogD (pH = 5.5) -0.50373006 
LogD (pH = 7.4) -0.5037373  Log P -0.50372994 
Molar Refractivity 27.4633 cm3 Polarizability 11.6424 Å3
Polar Surface Area 60.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
47 - 49°C expand Show data source
51-52°C expand Show data source
Hydrophobicity(logP)
-0.436 expand Show data source
Storage Warning
Harmful/Irritant/Store at -20oC 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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