3-nitro-N-(2,1,3-benzothiadiazol-5-yl)-1-benzenesulfonamide

HCID 19691903
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Basic information

Standard SMILES
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3nsnc3c2)c1
InChIKey
QGFCFBXTRNTDCU-UHFFFAOYSA-N
Molecular formula
C12H8N4O4S2
Average molar mass
336.4 g/mol

Names & identifiers

Preferred name
3-nitro-N-(2,1,3-benzothiadiazol-5-yl)-1-benzenesulfonamide
IUPAC
N-(2,1,3-benzothiadiazol-5-yl)-3-nitrobenzenesulfonamide

Names & synonyms

SCHEMBL8313260QGFCFBXTRNTDCU-UHFFFAOYSA-N3-nitro-N-(2,1,3-benzothiadiazol-5-yl)-1-benzenesulfonamide

Database identifiers

PubChem CID
19691903

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
154 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
22

Related reactions

2 records
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Linked notes

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