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N1-isobutoxy-4-methoxy-1-benzenesulfonamide

HCID 22997112
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(S(=O)(=O)NOCC(C)C)cc1
InChIKey
BNNLXUNAUZJWRW-UHFFFAOYSA-N
Molecular formula
C11H17NO4S
Average molar mass
259.32 g/mol

Names & identifiers

Preferred name
N1-isobutoxy-4-methoxy-1-benzenesulfonamide
IUPAC
4-methoxy-N-(2-methylpropoxy)benzenesulfonamide

Names & synonyms

SCHEMBL4867857BNNLXUNAUZJWRW-UHFFFAOYSA-NAKOS021033721N1-isobutoxy-4-methoxy-1-benzenesulfonamide

Database identifiers

PubChem CID
22997112

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
73 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
17
Formal charge
0
Complexity
302

Related reactions

3 records
New reaction record
HRID 29167 reaction equation
HRID 29167As productuspto-grants-2008_09
HRID 676229 reaction equation
HRID 676229As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1166479 reaction equation
HRID 1166479As productuspto-grants-2003_09

Compound notes

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