N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide

C15H15N3O2S — CID 43550582

IUPACN-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide
SMILESCc1ccc(N)c(NS(=O)(=O)c2ccccc2C#N)c1C
InChIInChI=1S/C15H15N3O2S/c1-10-7-8-13(17)15(11(10)2)18-21(19,20)14-6-4-3-5-12(14)9-16/h3-8,18H,17H2,1-2H3
InChIKeyJOHXMIVCSFLOQQ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.56
Rot. Bonds3

About N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide

N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide (PubChem CID 43550582) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide
PubChem CID43550582
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide
SMILESCc1ccc(N)c(NS(=O)(=O)c2ccccc2C#N)c1C
InChIInChI=1S/C15H15N3O2S/c1-10-7-8-13(17)15(11(10)2)18-21(19,20)14-6-4-3-5-12(14)9-16/h3-8,18H,17H2,1-2H3
InChIKeyJOHXMIVCSFLOQQ-UHFFFAOYSA-N
XLogP2.56
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.56
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

N-(3-amino-2,6-dimethylphenyl)-2-cyanobenzenesulfonamide
CID 29271568
N-(3-amino-4-methylphenyl)-2-cyanobenzenesulfonamide
CID 29287347
N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide
CID 43550675
2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705303
1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene
CID 114958678
N-(6-amino-2,3-dimethylphenyl)-2-methylpropane-2-sulfonamide
CID 55233609
N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929809
N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 28522075
N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide
CID 43550595
N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide
CID 43550604
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
CID 110776899
4-amino-2-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 43256224

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide (CID 43550582) is N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide is Cc1ccc(N)c(NS(=O)(=O)c2ccccc2C#N)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide?
The InChIKey is JOHXMIVCSFLOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-7-8-13(17)15(11(10)2)18-21(19,20)14-6-4-3-5-12(14)9-16/h3-8,18H,17H2,1-2H3.
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide?
N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide is sourced from PubChem (CID 43550582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).