3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide

C15H15N3O2S — CID 43257536

IUPAC3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H15N3O2S/c1-10-6-7-14(17)11(2)15(10)21(19,20)18-13-5-3-4-12(8-13)9-16/h3-8,18H,17H2,1-2H3
InChIKeyVCVHPFWJVZTRRF-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.56
Rot. Bonds3

About 3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide

3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 43257536) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
PubChem CID43257536
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H15N3O2S/c1-10-6-7-14(17)11(2)15(10)21(19,20)18-13-5-3-4-12(8-13)9-16/h3-8,18H,17H2,1-2H3
InChIKeyVCVHPFWJVZTRRF-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'}

Analyze 3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide
CID 43452384
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 61166903
3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257405
3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257720
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257764
2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide
CID 26979574
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide
CID 43257540
3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide
CID 107596340
2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide
CID 80711667

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide (CID 43257536) is 3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is VCVHPFWJVZTRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-6-7-14(17)11(2)15(10)21(19,20)18-13-5-3-4-12(8-13)9-16/h3-8,18H,17H2,1-2H3.
What are the key properties of 3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide?
3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide 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 3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 43257536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).