2-Amino-6-(3-methoxy-5-methyl-phenyl)sulfonyl-benzonitrile

HCID 483464
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Basic information

Standard SMILES
COc1cc(C)cc(S(=O)(=O)c2cccc(N)c2C#N)c1
InChIKey
ZHCKHDSIOBSCSP-UHFFFAOYSA-N
Molecular formula
C15H14N2O3S
Average molar mass
302.4 g/mol
Monoisotopic mass
302.07251349

Names & identifiers

Preferred name
2-Amino-6-(3-methoxy-5-methyl-phenyl)sulfonyl-benzonitrile
IUPAC
2-amino-6-(3-methoxy-5-methylphenyl)sulfonylbenzonitrile

Names & synonyms

CHEMBL55187BDBM1805SCHEMBL8409994ZHCKHDSIOBSCSP-UHFFFAOYSA-N2-Amino-6-arylthiobenzonitrile deriv. 3y2-amino-6-(3-methoxy-5-methyl-phenyl)sulfonyl-benzonitrile2-amino-6-[(3-methyl-5-methoxyphenyl)sulfonyl]benzonitrile2-Amino-6-(3-methoxy-5-methyl-benzenesulfonyl)-benzonitrile2-amino-6-[(3-methoxy-5-methylbenzene)sulfonyl]benzonitrile

Database identifiers

PubChem CID
483464
ChEMBL
CHEMBL55187
Nikkaji
J2.035.056C

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

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2-Amino-6-(3-methoxy-5-methyl-phenyl)sulfonyl-benzonitrile (HCID 483464)｜Huagongshe