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40741-46-6 molecular structure
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6-chloropyridine-3-sulfonamide

ChemBase ID: 246854
Molecular Formular: C5H5ClN2O2S
Molecular Mass: 192.6234
Monoisotopic Mass: 191.97602609
SMILES and InChIs

SMILES:
S(=O)(=O)(c1cnc(cc1)Cl)N
Canonical SMILES:
Clc1ccc(cn1)S(=O)(=O)N
InChI:
InChI=1S/C5H5ClN2O2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H,(H2,7,9,10)
InChIKey:
HIBWOQXTHBAGDY-UHFFFAOYSA-N

Cite this record

CBID:246854 http://www.chembase.cn/molecule-246854.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloropyridine-3-sulfonamide
IUPAC Traditional name
6-chloropyridine-3-sulfonamide
Synonyms
6-chloropyridine-3-sulfonamide
CAS Number
40741-46-6
MDL Number
MFCD00661410
PubChem SID
164302764
PubChem CID
1201512

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1201512 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.060309  H Acceptors
H Donor LogD (pH = 5.5) 0.18572013 
LogD (pH = 7.4) 0.17751516  Log P 0.18582602 
Molar Refractivity 41.9251 cm3 Polarizability 16.79607 Å3
Polar Surface Area 73.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
154 - 156°C expand Show data source
Hydrophobicity(logP)
0.513 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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