3-(azocane-1-carbonyl)-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide

HCID 51145583

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Basic information

CAS: 1286973-36-1
Standard SMILES: CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCCCCCC2)c1
InChIKey: PEGIGHUBPMHISK-UHFFFAOYSA-N
Molecular formula: C18H28N2O3S
Average molar mass: 352.5 g/mol
Monoisotopic mass: 352.18206393

Names & identifiers

Preferred name: 3-(azocane-1-carbonyl)-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide
IUPAC: 3-(azocane-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide

Names & synonyms

DTXSID501126337AKOS017040600Benzenesulfonamide, 3-[(hexahydro-1(2H)-azocinyl)carbonyl]-N-methyl-N-(1-methylethyl)-1286973-36-1Z270748663-(azocane-1-carbonyl)-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide

Database identifiers

CAS: 1286973-36-1
PubChem CID: 51145583
DTXSID: DTXSID501126337

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 505

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