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203663-15-4 molecular structure
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N-(piperidin-4-yl)benzenesulfonamide

ChemBase ID: 34146
Molecular Formular: C11H16N2O2S
Molecular Mass: 240.32194
Monoisotopic Mass: 240.09324876
SMILES and InChIs

SMILES:
c1(S(=O)(=O)NC2CCNCC2)ccccc1
Canonical SMILES:
O=S(=O)(c1ccccc1)NC1CCNCC1
InChI:
InChI=1S/C11H16N2O2S/c14-16(15,11-4-2-1-3-5-11)13-10-6-8-12-9-7-10/h1-5,10,12-13H,6-9H2
InChIKey:
GQWDFANHJGRRSL-UHFFFAOYSA-N

Cite this record

CBID:34146 http://www.chembase.cn/molecule-34146.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(piperidin-4-yl)benzenesulfonamide
IUPAC Traditional name
N-(piperidin-4-yl)benzenesulfonamide
Synonyms
N-Piperidin-4-ylbenzenesulfonamide
N-(Piperidin-4-yl)benzenesulfonamide
CAS Number
203663-15-4
MDL Number
MFCD07365347
PubChem SID
160997453
PubChem CID
4778282

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4778282 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.390257  H Acceptors
H Donor LogD (pH = 5.5) -2.772236 
LogD (pH = 7.4) -2.0695043  Log P -0.028682081 
Molar Refractivity 63.269 cm3 Polarizability 25.609016 Å3
Polar Surface Area 58.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
157 - 159°C expand Show data source
Hydrophobicity(logP)
0.533 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
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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