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N-[[4-[2-(5-hydroxypentylidene)hydrazinyl]phenyl]methyl]methanesulfonamide

HCID 69011933
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
151140-70-4
Standard SMILES
CS(=O)(=O)NCc1ccc(NN=CCCCCO)cc1
InChIKey
STGAIAIMLPCHJK-UHFFFAOYSA-N
Molecular formula
C13H21N3O3S
Average molar mass
299.39 g/mol
Monoisotopic mass
299.13036253

Names & identifiers

Preferred name
N-[[4-[2-(5-hydroxypentylidene)hydrazinyl]phenyl]methyl]methanesulfonamide
IUPAC
N-[[4-[2-(5-hydroxypentylidene)hydrazinyl]phenyl]methyl]methanesulfonamide

Names & synonyms

N-[[4-[2-(5-hydroxypentylidene)hydrazinyl]phenyl]methyl]methanesulfonamideN-({4-[2-(5-Hydroxypentylidene)hydrazinyl]phenyl}methyl)methanesulfonamideSCHEMBL4349447STGAIAIMLPCHJK-UHFFFAOYSA-NDTXSID101145727151140-70-4

Database identifiers

CAS
151140-70-4
PubChem CID
69011933
DTXSID
DTXSID101145727

Properties

Computed structural propertiesFilling in

XLogP
0.7
Topological polar surface area
99.2 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
20
Formal charge
0
Complexity
371

Related reactions

3 records
New reaction record
HRID 1463332 reaction equation
HRID 1463332As productuspto-grants-1994_04
HRID 1647784 reaction equation
HRID 1647784As productuspto-grants-1995_07
HRID 2322105 reaction equation
HRID 2322105As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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