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599-81-5 molecular structure
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4-amino-N-(pyridin-3-yl)benzene-1-sulfonamide

ChemBase ID: 255908
Molecular Formular: C11H11N3O2S
Molecular Mass: 249.28894
Monoisotopic Mass: 249.05719761
SMILES and InChIs

SMILES:
S(=O)(=O)(Nc1cnccc1)c1ccc(N)cc1
Canonical SMILES:
Nc1ccc(cc1)S(=O)(=O)Nc1cccnc1
InChI:
InChI=1S/C11H11N3O2S/c12-9-3-5-11(6-4-9)17(15,16)14-10-2-1-7-13-8-10/h1-8,14H,12H2
InChIKey:
ZLXWFOCBHASDIJ-UHFFFAOYSA-N

Cite this record

CBID:255908 http://www.chembase.cn/molecule-255908.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-N-(pyridin-3-yl)benzene-1-sulfonamide
IUPAC Traditional name
4-amino-N-(pyridin-3-yl)benzenesulfonamide
Synonyms
4-amino-N-pyridin-3-ylbenzenesulfonamide
CAS Number
599-81-5
MDL Number
MFCD07365053
PubChem SID
164311818
PubChem CID
4778157

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-35221 external link Add to cart Please log in.
Data Source Data ID
PubChem 4778157 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.6833286  H Acceptors
H Donor LogD (pH = 5.5) 0.40913102 
LogD (pH = 7.4) 0.25716263  Log P 0.41431272 
Molar Refractivity 65.4337 cm3 Polarizability 25.445055 Å3
Polar Surface Area 85.08 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
256 - 258°C expand Show data source
Hydrophobicity(logP)
0.836 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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