m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-

HCID 201348

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5819-78-3
Standard SMILES: CCCCCCCCOc1ccc(N)cc1CS(=O)(=O)c1ccc(C)cc1
InChIKey: XHSDFGAXDKSCBK-UHFFFAOYSA-N
Molecular formula: C22H31NO3S
Average molar mass: 389.6 g/mol
Monoisotopic mass: 389.20246485

Names & identifiers

Preferred name: m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-
IUPAC: 3-[(4-methylphenyl)sulfonylmethyl]-4-octoxyaniline

Names & synonyms

m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-5819-78-3M & B 64534-(Octyloxy)-alpha-(p-tolylsulfonyl)-m-toluidineDTXSID00206929RefChem:351589DTXCID801294203-[(4-methylphenyl)sulfonylmethyl]-4-octoxyanilineorb1985590AKOS040753163T335243-[(4-Methylbenzene-1-sulfonyl)methyl]-4-(octyloxy)aniline

Database identifiers

CAS: 5819-78-3
PubChem CID: 201348
DTXSID: DTXSID00206929

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 77.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 27
Formal charge: 0
Complexity: 494

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…