2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide

C14H17N3O2S — CID 53151398

IUPAC2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cccnc1Nc1cc(C)cc(C)c1
InChIInChI=1S/C14H17N3O2S/c1-10-7-11(2)9-12(8-10)17-14-13(5-4-6-16-14)20(18,19)15-3/h4-9,15H,1-3H3,(H,16,17)
InChIKeyCVHONLOKSRTHOD-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.35
Rot. Bonds4

About 2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide

2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide (PubChem CID 53151398) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide
PubChem CID53151398
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cccnc1Nc1cc(C)cc(C)c1
InChIInChI=1S/C14H17N3O2S/c1-10-7-11(2)9-12(8-10)17-14-13(5-4-6-16-14)20(18,19)15-3/h4-9,15H,1-3H3,(H,16,17)
InChIKeyCVHONLOKSRTHOD-UHFFFAOYSA-N
XLogP2.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide 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-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 50845504
2-(2-methoxyethylamino)-N-methylpyridine-3-sulfonamide
CID 143021939
N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62149915
[2-(3,5-dimethylanilino)-3-pyridinyl]methanol
CID 82081347
3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine
CID 82081174
N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62149101
N-(3,5-dimethylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304016
2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide
CID 53151390
N-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 107630568
N-(2-fluoro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143202
N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81274698
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146869

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide (CID 53151398) is 2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1cccnc1Nc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide?
The InChIKey is CVHONLOKSRTHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-7-11(2)9-12(8-10)17-14-13(5-4-6-16-14)20(18,19)15-3/h4-9,15H,1-3H3,(H,16,17).
What are the key properties of 2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide?
2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 53151398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).