1,3-Benzoxathiole-4-sulfonamide

HCID 20137752
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Basic information

CAS
87474-12-2
Standard SMILES
NS(=O)(=O)c1cccc2c1SCO2
InChIKey
MMSGXOFPUNPXJP-UHFFFAOYSA-N
Molecular formula
C7H7NO3S2
Average molar mass
217.3 g/mol
Monoisotopic mass
216.98673508

Names & identifiers

Preferred name
1,3-Benzoxathiole-4-sulfonamide
IUPAC
1,3-benzoxathiole-4-sulfonamide

Names & synonyms

87474-12-21,3-Benzoxathiole-4-sulfonamideSCHEMBL10667116DTXSID40602885MMSGXOFPUNPXJP-UHFFFAOYSA-N2H-1,3-Benzoxathiole-4-sulfonamide

Database identifiers

CAS
87474-12-2
PubChem CID
20137752
DTXSID
DTXSID40602885

Properties

Computed structural propertiesFilling in

XLogP
0.8
Topological polar surface area
103 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
13

Related reactions

4 records
New reaction record

Compound notes

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