3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide

C11H8N6O2S — CID 115944543

IUPAC3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide
SMILESN#Cc1ncn(-c2ccc(S(N)(=O)=O)cc2N)c1C#N
InChIInChI=1S/C11H8N6O2S/c12-4-9-11(5-13)17(6-16-9)10-2-1-7(3-8(10)14)20(15,18)19/h1-3,6H,14H2,(H2,15,18,19)
InChIKeyOVWMBLNHQFRYIE-UHFFFAOYSA-N
MW288.29 g/mol
LogP-0.15
Rot. Bonds2

About 3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide

3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide (PubChem CID 115944543) has the molecular formula C11H8N6O2S and a molecular weight of 288.29 g/mol. Its IUPAC name is 3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide
PubChem CID115944543
Molecular FormulaC11H8N6O2S
Molecular Weight288.29 g/mol
Exact Mass288.04
IUPAC Name3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide
SMILESN#Cc1ncn(-c2ccc(S(N)(=O)=O)cc2N)c1C#N
InChIInChI=1S/C11H8N6O2S/c12-4-9-11(5-13)17(6-16-9)10-2-1-7(3-8(10)14)20(15,18)19/h1-3,6H,14H2,(H2,15,18,19)
InChIKeyOVWMBLNHQFRYIE-UHFFFAOYSA-N
XLogP-0.15
TPSA151.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-chloro-4-fluorophenyl)imidazole-4,5-dicarbonitrile
CID 114089127
1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
CID 146004115
1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile
CID 112595275
2-amino-5-(4,5-dicyanoimidazol-1-yl)benzoic acid
CID 112595309
1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile
CID 112595092
2-(4,5-dicyanoimidazol-1-yl)-4-nitrobenzoic acid
CID 115944688
2-amino-3-(4,5-dicyanoimidazol-1-yl)benzoic acid
CID 112595307
3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 114649938
4-(4,5-dicyanoimidazol-1-yl)-3-fluorobenzoic acid
CID 112595426
1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 112595783
4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide
CID 115944574
sodium 2-amino-4-sulfamoylphenolate
CID 102504170

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide (CID 115944543) is 3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide is N#Cc1ncn(-c2ccc(S(N)(=O)=O)cc2N)c1C#N.
What is the InChIKey of 3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide?
The InChIKey is OVWMBLNHQFRYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O2S/c12-4-9-11(5-13)17(6-16-9)10-2-1-7(3-8(10)14)20(15,18)19/h1-3,6H,14H2,(H2,15,18,19).
What are the key properties of 3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide?
3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide has a molecular weight of 288.29 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 115944543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).