n-[4-(Cyanomethyl)phenyl]methanesulfonamide

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Basic information

CAS: 33893-37-7
Standard SMILES: CS(=O)(=O)Nc1ccc(CC#N)cc1
InChIKey: IABBFZUIRINZBY-UHFFFAOYSA-N
Molecular formula: C9H10N2O2S
Average molar mass: 210.26 g/mol
Monoisotopic mass: 210.04629874

Names & identifiers

Preferred name: n-[4-(Cyanomethyl)phenyl]methanesulfonamide
IUPAC: N-[4-(cyanomethyl)phenyl]methanesulfonamide

Names & synonyms

n-[4-(cyanomethyl)phenyl]methanesulfonamide33893-37-7N-(4-(Cyanomethyl)phenyl)methanesulfonamideNSC151985SCHEMBL4625352DTXSID40955484IABBFZUIRINZBY-UHFFFAOYSA-NSTL136994AKOS000390370NSC-151985N-[4-(Cyanomethyl)phenyl]methanesulphonamideAB00013310-01

Database identifiers

CAS: 33893-37-7
PubChem CID: 289747
DTXSID: DTXSID40955484

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 78.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 314

Related reactions

2 records

New reaction record

HRID 1351408As productuspto-grants-2007_05

HRID 2335894As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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