4-Bromomethyl-N-t-butyl-benzenesulfonamide

HCID 11001258

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(C)NS(=O)(=O)c1ccc(CBr)cc1
InChIKey: RJAHIBYGPYJWQJ-UHFFFAOYSA-N
Molecular formula: C11H16BrNO2S
Average molar mass: 306.22 g/mol

Names & identifiers

Preferred name: 4-Bromomethyl-N-t-butyl-benzenesulfonamide
IUPAC: 4-(bromomethyl)-N-tert-butylbenzenesulfonamide

Names & synonyms

SCHEMBL1458716RJAHIBYGPYJWQJ-UHFFFAOYSA-NAKOS0148193334-Bromomethyl-N-t-butyl-benzenesulfonamide

Database identifiers

PubChem CID: 11001258

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 308

Related reactions

8 records

New reaction record

HRID 158285As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1516463As productuspto-grants-2012_07

HRID 1516464As reactantuspto-grants-2012_07

HRID 1669539As productuspto-grants-2011_08

HRID 1669540As reactantuspto-grants-2011_08

HRID 1888346As productuspto-grants-2013_08

HRID 1888347As reactantuspto-grants-2013_08

HRID 2161187As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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