m-Toluidine, alpha-((p-chlorophenyl)sulfonyl)-4-(octyloxy)-

HCID 201347

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Basic information

CAS: 5819-77-2
Standard SMILES: CCCCCCCCOc1ccc(N)cc1CS(=O)(=O)c1ccc(Cl)cc1
InChIKey: NYQQTZVCWPIHOW-UHFFFAOYSA-N
Molecular formula: C21H28ClNO3S
Average molar mass: 410 g/mol
Monoisotopic mass: 409.14784244

Names & identifiers

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

Names & synonyms

m-Toluidine, alpha-((p-chlorophenyl)sulfonyl)-4-(octyloxy)-5819-77-2M & B 7400alpha-((p-Chlorophenyl)sulfonyl)-4-(octyloxy)-m-toluidineDTXSID40206928RefChem:351596DTXCID701294193-[(4-chlorophenyl)sulfonylmethyl]-4-octoxyanilineorb1985588AKOS040753165T335263-[(4-Chlorobenzene-1-sulfonyl)methyl]-4-(octyloxy)aniline

Database identifiers

CAS: 5819-77-2
PubChem CID: 201347
DTXSID: DTXSID40206928

Properties

Computed structural properties

XLogP: 6
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: 500

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