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53668-37-4 molecular structure
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4-amino-N-cyclohexylbenzene-1-sulfonamide

ChemBase ID: 21514
Molecular Formular: C12H18N2O2S
Molecular Mass: 254.34852
Monoisotopic Mass: 254.10889883
SMILES and InChIs

SMILES:
S(=O)(=O)(NC1CCCCC1)c1ccc(N)cc1
Canonical SMILES:
Nc1ccc(cc1)S(=O)(=O)NC1CCCCC1
InChI:
InChI=1S/C12H18N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5,13H2
InChIKey:
TWDXGFYTZRHHCF-UHFFFAOYSA-N

Cite this record

CBID:21514 http://www.chembase.cn/molecule-21514.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-N-cyclohexylbenzene-1-sulfonamide
IUPAC Traditional name
4-amino-N-cyclohexylbenzenesulfonamide
Synonyms
4-Amino-N-cyclohexylbenzenesulfonamide
CAS Number
53668-37-4
MDL Number
MFCD03488727
PubChem SID
160984821
PubChem CID
730226

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 730226 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.927568  H Acceptors
H Donor LogD (pH = 5.5) 1.7729629 
LogD (pH = 7.4) 1.7731788  Log P 1.7732972 
Molar Refractivity 68.8272 cm3 Polarizability 27.06666 Å3
Polar Surface Area 72.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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