N-(1-butanesulfonyl)-4-acetylamino-3-nitrobenzamide

HCID 18680978
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Basic information

Standard SMILES
CCCCS(=O)(=O)NC(=O)c1ccc(NC(C)=O)c([N+](=O)[O-])c1
InChIKey
PQESCINJGAVCRW-UHFFFAOYSA-N
Molecular formula
C13H17N3O6S
Average molar mass
343.36 g/mol

Names & identifiers

Preferred name
N-(1-butanesulfonyl)-4-acetylamino-3-nitrobenzamide
IUPAC
4-acetamido-N-butylsulfonyl-3-nitrobenzamide

Names & synonyms

SCHEMBL6168841PQESCINJGAVCRW-UHFFFAOYSA-NN-(1-butanesulfonyl)-4-acetylamino-3-nitrobenzamide

Database identifiers

PubChem CID
18680978

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
147 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
23

Related reactions

4 records
New reaction record

Linked notes

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