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4-chloro-N-(1-diazo-2-oxopentan-3-yl)-N-(pent-1-yn-3-yl)benzenesulfonamide

HCID 72259587
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C#CC(CC)N(C(CC)C(=O)C=[N+]=[N-])S(=O)(=O)c1ccc(Cl)cc1
InChIKey
FGNJDIUCLQMEJV-UHFFFAOYSA-N
Molecular formula
C16H18ClN3O3S
Average molar mass
367.9 g/mol

Names & identifiers

Preferred name
4-chloro-N-(1-diazo-2-oxopentan-3-yl)-N-(pent-1-yn-3-yl)benzenesulfonamide
IUPAC
4-chloro-N-(1-diazo-2-oxopentan-3-yl)-N-pent-1-yn-3-ylbenzenesulfonamide

Names & synonyms

SCHEMBL3070268FGNJDIUCLQMEJV-UHFFFAOYSA-N4-chloro-N-(1-diazo-2-oxopentan-3-yl)-N-(pent-1-yn-3-yl)benzenesulfonamide

Database identifiers

PubChem CID
72259587

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
64.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
24
Formal charge
0
Complexity
635

Related reactions

2 records
New reaction record
HRID 15727 reaction equation
HRID 15727As productuspto-grants-2010_06
HRID 1240376 reaction equation
HRID 1240376As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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