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

C15H19N3O2S — CID 114698288

IUPAC4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cnccc1CNS(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C15H19N3O2S/c1-10-6-14(16)7-11(2)15(10)21(19,20)18-9-13-4-5-17-8-12(13)3/h4-8,18H,9,16H2,1-3H3
InChIKeyMUESBBNHNHIHBD-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.07
Rot. Bonds4

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

4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 114698288) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID114698288
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cnccc1CNS(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C15H19N3O2S/c1-10-6-14(16)7-11(2)15(10)21(19,20)18-9-13-4-5-17-8-12(13)3/h4-8,18H,9,16H2,1-3H3
InChIKeyMUESBBNHNHIHBD-UHFFFAOYSA-N
XLogP2.07
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]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

4-amino-2,6-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698306
4-amino-2,6-difluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698255
4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide
CID 114698293
4-amino-2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698284
4-amino-2,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954441
5-amino-2-chloro-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698332
2-amino-5-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698297
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 106033911
2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106492166
3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114699441
5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 114698510
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
CID 114701597

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide (CID 114698288) is 4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide is Cc1cnccc1CNS(=O)(=O)c1c(C)cc(N)cc1C.
What is the InChIKey of 4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is MUESBBNHNHIHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-6-14(16)7-11(2)15(10)21(19,20)18-9-13-4-5-17-8-12(13)3/h4-8,18H,9,16H2,1-3H3.
What are the key properties of 4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 114698288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).