3-(4-chloro-3-aminobenzylsulfonyl)-6-chloro-2H-chromen-2-one

HCID 11617904
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Basic information

Standard SMILES
Nc1cc(CS(=O)(=O)c2cc3cc(Cl)ccc3oc2=O)ccc1Cl
InChIKey
VTPALZJZTCLBSY-UHFFFAOYSA-N
Molecular formula
C16H11Cl2NO4S
Average molar mass
384.2 g/mol
Monoisotopic mass
382.9785844

Names & identifiers

Preferred name
3-(4-chloro-3-aminobenzylsulfonyl)-6-chloro-2H-chromen-2-one
IUPAC
3-[(3-amino-4-chlorophenyl)methylsulfonyl]-6-chlorochromen-2-one

Names & synonyms

SCHEMBL829617VTPALZJZTCLBSY-UHFFFAOYSA-N3-(4-chloro-3-aminobenzylsulfonyl)-6-chloro-2H-chromen-2-one

Database identifiers

PubChem CID
11617904

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
94.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
24

Related reactions

2 records
New reaction record

Compound notes

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