2-Amino-6-[(3-methoxyphenyl)sulfonyl]benzonitrile

HCID 483450
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Basic information

Standard SMILES
COc1cccc(S(=O)(=O)c2cccc(N)c2C#N)c1
InChIKey
NJNNHBSNFKEPRU-UHFFFAOYSA-N
Molecular formula
C14H12N2O3S
Average molar mass
288.32 g/mol

Names & identifiers

Preferred name
2-Amino-6-[(3-methoxyphenyl)sulfonyl]benzonitrile
IUPAC
2-amino-6-(3-methoxyphenyl)sulfonylbenzonitrile

Names & synonyms

2-amino-6-[(3-methoxyphenyl)sulfonyl]benzonitrileCHEMBL55199BDBM1783SCHEMBL8413446NJNNHBSNFKEPRU-UHFFFAOYSA-N2-Amino-6-arylthiobenzonitrile deriv. 3c2-amino-6-(3-methoxyphenyl)sulfonyl-benzonitrile2-Amino-6-(3-methoxy-benzenesulfonyl)-benzonitrile2-amino-6-[(3-methoxybenzene)sulfonyl]benzonitrile

Database identifiers

PubChem CID
483450
ChEMBL
CHEMBL55199
Nikkaji
J2.035.034B

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
20

Related reactions

2 records
New reaction record

Linked notes

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