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111480-84-3 molecular structure
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pyridine-2-sulfonyl chloride

ChemBase ID: 180493
Molecular Formular: C5H4ClNO2S
Molecular Mass: 177.60876
Monoisotopic Mass: 176.96512705
SMILES and InChIs

SMILES:
c1(ccccn1)S(=O)(=O)Cl
Canonical SMILES:
ClS(=O)(=O)c1ccccn1
InChI:
InChI=1S/C5H4ClNO2S/c6-10(8,9)5-3-1-2-4-7-5/h1-4H
InChIKey:
JQJOGAGLBDBMLU-UHFFFAOYSA-N

Cite this record

CBID:180493 http://www.chembase.cn/molecule-180493.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyridine-2-sulfonyl chloride
IUPAC Traditional name
pyridine-2-sulfonyl chloride
Synonyms
Pyridine-2-sulfonyl chloride
CAS Number
111480-84-3
66715-65-9
PubChem SID
164236403
PubChem CID
3787675

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3787675 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2963339  LogD (pH = 7.4) 1.2963339 
Log P 1.2963339  Molar Refractivity 38.4088 cm3
Polarizability 15.584374 Å3 Polar Surface Area 47.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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