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

HCID 214830

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Basic information

CAS: 34334-46-8
Standard SMILES: CC12CCC(CN(C(=O)NS(=O)(=O)c3ccc(Br)cc3)C1)C2(C)C
InChIKey: CKVVWZRGLIVIMU-UHFFFAOYSA-N
Molecular formula: C17H23BrN2O3S
Average molar mass: 415.3 g/mol
Monoisotopic mass: 414.06128

Names & identifiers

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

Names & synonyms

71-18 R&CN-((4-Bromophenyl)sulfonyl)-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane-3-carboxamide34334-46-8(Bromo-4 benzene sulfonylamino-carbonyl)-3 trimethyl-1,8,8 3-azabicyclo(3,2,1)octane [French]3-Azabicyclo(3.2.1)octane-3-carboxamide, N-((4-bromophenyl)sulfonyl)-1,8,8-trimethyl-(Bromo-4 benzene sulfonylamino-carbonyl)-3 trimethyl-1,8,8 3-azabicyclo(3,2,1)octaneRefChem:276760DTXSID70955891N-(4-Bromobenzene-1-sulfonyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carboximidic acid

Database identifiers

CAS: 34334-46-8
PubChem CID: 214830
DTXSID: DTXSID70955891

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 608

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