N-Cyclohexyl-1-[(2-nitrophenyl)sulfonyl]piperidine-3-carboxamide

HCID 11675603

Notes Reactions

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Basic information

CAS: 872506-51-9
Standard SMILES: O=C(NC1CCCCC1)C1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1
InChIKey: JRVXGJOZIQWGLG-UHFFFAOYSA-N
Molecular formula: C18H25N3O5S
Average molar mass: 395.5 g/mol
Monoisotopic mass: 395.15149208

Names & identifiers

Preferred name: N-Cyclohexyl-1-[(2-nitrophenyl)sulfonyl]piperidine-3-carboxamide
IUPAC: N-cyclohexyl-1-(2-nitrophenyl)sulfonylpiperidine-3-carboxamide

Names & synonyms

N-Cyclohexyl-1-[(2-nitrophenyl)sulfonyl]piperidine-3-carboxamideSCHEMBL613263JRVXGJOZIQWGLG-UHFFFAOYSA-NDTXSID401170379AKOS007504862872506-51-9N-Cyclohexyl-1-(2-nitrobenzene-1-sulfonyl)piperidine-3-carboxamide

Database identifiers

CAS: 872506-51-9
PubChem CID: 11675603
DTXSID: DTXSID401170379

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 121 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 636

Related reactions

3 records

New reaction record

HRID 656318As productuspto-grants-2011_12

HRID 666818As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2065446As productuspto-grants-2012_10

Compound notes

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