3-Azabicyclo(3.2.1)octane-3-carboxamide, N-((4-fluorophenyl)sulfonyl)-1,8,8-trimethyl-

HCID 214831

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Basic information

CAS: 16605-36-0
Standard SMILES: CC12CCC(CN(C(=O)NS(=O)(=O)c3ccc(F)cc3)C1)C2(C)C
InChIKey: JOFJRKZRBGKCTM-UHFFFAOYSA-N
Molecular formula: C17H23FN2O3S
Average molar mass: 354.4 g/mol
Monoisotopic mass: 354.14134194

Names & identifiers

Preferred name: 3-Azabicyclo(3.2.1)octane-3-carboxamide, N-((4-fluorophenyl)sulfonyl)-1,8,8-trimethyl-
IUPAC: N-(4-fluorophenyl)sulfonyl-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carboxamide

Names & synonyms

3-Azabicyclo(3.2.1)octane-3-carboxamide, N-((4-fluorophenyl)sulfonyl)-1,8,8-trimethyl-34334-47-9RefChem:106734371-19 R&CN-((4-Fluorophenyl)sulfonyl)-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane-3-carboxamide(Fluoro-4 benzene sulfonylamino-carbonyl)-3 trimethyl-1,8,8 3-azabicyclo(3,2,1)octane [French]DTXSID20937162(Fluoro-4 benzene sulfonylamino-carbonyl)-3 trimethyl-1,8,8 3-azabicyclo(3,2,1)octane16605-36-0N-(4-Fluorobenzene-1-sulfonyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carboximidic acid

Database identifiers

CAS: 16605-36-0、34334-47-9
PubChem CID: 214831
DTXSID: DTXSID20937162

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 608

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