4-amino-2-cyano-N-ethylbenzenesulfonamide

C9H11N3O2S — CID 43255698

IUPAC4-amino-2-cyano-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C9H11N3O2S/c1-2-12-15(13,14)9-4-3-8(11)5-7(9)6-10/h3-5,12H,2,11H2,1H3
InChIKeyIICXIELFMHSZTQ-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.44
Rot. Bonds3

About 4-amino-2-cyano-N-ethylbenzenesulfonamide

4-amino-2-cyano-N-ethylbenzenesulfonamide (PubChem CID 43255698) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-amino-2-cyano-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-ethylbenzenesulfonamide
PubChem CID43255698
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name4-amino-2-cyano-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C9H11N3O2S/c1-2-12-15(13,14)9-4-3-8(11)5-7(9)6-10/h3-5,12H,2,11H2,1H3
InChIKeyIICXIELFMHSZTQ-UHFFFAOYSA-N
XLogP0.44
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 93081252
4-amino-2-cyano-N-pentan-3-ylbenzenesulfonamide
CID 43255682
4-amino-N-butan-2-yl-2-cyanobenzenesulfonamide
CID 43255660
3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274839
4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822731
4-amino-2-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 43256371
4-amino-2-cyano-N-pent-4-ynylbenzenesulfonamide
CID 106219873
3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide
CID 106164933
4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368933
4-amino-2-cyano-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62636597
4-amino-2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165292
4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide
CID 60921087

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-ethylbenzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-ethylbenzenesulfonamide (CID 43255698) is 4-amino-2-cyano-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(N)cc1C#N.
What is the InChIKey of 4-amino-2-cyano-N-ethylbenzenesulfonamide?
The InChIKey is IICXIELFMHSZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-2-12-15(13,14)9-4-3-8(11)5-7(9)6-10/h3-5,12H,2,11H2,1H3.
What are the key properties of 4-amino-2-cyano-N-ethylbenzenesulfonamide?
4-amino-2-cyano-N-ethylbenzenesulfonamide has a molecular weight of 225.27 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyano-N-ethylbenzenesulfonamide is sourced from PubChem (CID 43255698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).