4'-(2-Cyanoethylsulfonyl)acetanilide

HCID 3239094
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Basic information

Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)CCC#N)cc1
InChIKey
HQOKBIYUMRBYPA-UHFFFAOYSA-N
Molecular formula
C11H12N2O3S
Average molar mass
252.29 g/mol
Monoisotopic mass
252.05686342

Names & identifiers

Preferred name
4'-(2-Cyanoethylsulfonyl)acetanilide
IUPAC
N-[4-(2-cyanoethylsulfonyl)phenyl]acetamide

Names & synonyms

SMR000019003ChemDiv2_000317Oprea1_059801MLS000084655CHEMBL1351906SCHEMBL10942025HQOKBIYUMRBYPA-UHFFFAOYSA-NHMS1369O09HMS2361A054'-(2-Cyanoethylsulfonyl)acetanilideAKOS001584990N-{4-[(2-cyanoethyl)sulfonyl]phenyl}acetamide
Show more names
SR-01000389200SR-01000389200-1N-[4-(2-CYANOETHANESULFONYL)PHENYL]ACETAMIDEN-(4-(2-CYANO-ETHANESULFONYL)-PHENYL)-ACETAMIDE

Database identifiers

PubChem CID
3239094
ChEMBL
CHEMBL1351906

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
95.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17

Related reactions

3 records
New reaction record

Compound notes

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