6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide

C14H17N3O2S — CID 63329763

IUPAC6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C14H17N3O2S/c1-9-4-5-12(15)14(11(9)3)20(18,19)17-13-8-16-7-6-10(13)2/h4-8,17H,15H2,1-3H3
InChIKeyYEQRNKZYKPCOGZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.39
Rot. Bonds3

About 6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide

6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 63329763) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID63329763
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C14H17N3O2S/c1-9-4-5-12(15)14(11(9)3)20(18,19)17-13-8-16-7-6-10(13)2/h4-8,17H,15H2,1-3H3
InChIKeyYEQRNKZYKPCOGZ-UHFFFAOYSA-N
XLogP2.39
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide 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-4,5-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329850
6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258446
4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 115330084
6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584499
6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903477
6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43257782
6-amino-N-(2,4-dibromophenyl)-2,3-dimethylbenzenesulfonamide
CID 61471930
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43438179
6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258725
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide (CID 63329763) is 6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide is Cc1ccncc1NS(=O)(=O)c1c(N)ccc(C)c1C.
What is the InChIKey of 6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is YEQRNKZYKPCOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-4-5-12(15)14(11(9)3)20(18,19)17-13-8-16-7-6-10(13)2/h4-8,17H,15H2,1-3H3.
What are the key properties of 6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 63329763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).