2-Benzenesulfonylphenyl isocyanate

HCID 21242735
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Basic information

Standard SMILES
O=C=Nc1ccccc1S(=O)(=O)c1ccccc1
InChIKey
MXNKAHXFEICOAH-UHFFFAOYSA-N
Molecular formula
C13H9NO3S
Average molar mass
259.28 g/mol

Names & identifiers

Preferred name
2-Benzenesulfonylphenyl isocyanate
IUPAC
1-(benzenesulfonyl)-2-isocyanatobenzene

Names & synonyms

SCHEMBL13407812-benzenesulfonylphenyl isocyanateMXNKAHXFEICOAH-UHFFFAOYSA-N

Database identifiers

PubChem CID
21242735

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
72 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18

Related reactions

2 records
New reaction record

Compound notes

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