2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide

C19H19N3O2S — CID 50845504

IUPAC2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccnc2Nc2ccccc2)cc1C
InChIInChI=1S/C19H19N3O2S/c1-14-10-11-17(13-15(14)2)22-25(23,24)18-9-6-12-20-19(18)21-16-7-4-3-5-8-16/h3-13,22H,1-2H3,(H,20,21)
InChIKeyZOWGWXBTVVOFEX-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.24
Rot. Bonds5

About 2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide

2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide (PubChem CID 50845504) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
PubChem CID50845504
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccnc2Nc2ccccc2)cc1C
InChIInChI=1S/C19H19N3O2S/c1-14-10-11-17(13-15(14)2)22-25(23,24)18-9-6-12-20-19(18)21-16-7-4-3-5-8-16/h3-13,22H,1-2H3,(H,20,21)
InChIKeyZOWGWXBTVVOFEX-UHFFFAOYSA-N
XLogP4.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456741
N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62149915
N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62149101
3-amino-N-(3,4-dimethylphenyl)pyridine-2-sulfonamide
CID 103303574
2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide
CID 53151398
N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 79233082
2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide
CID 62811983
2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide
CID 53151390
N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62164737
N-(3-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144380
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide (CID 50845504) is 2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2cccnc2Nc2ccccc2)cc1C.
What is the InChIKey of 2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide?
The InChIKey is ZOWGWXBTVVOFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14-10-11-17(13-15(14)2)22-25(23,24)18-9-6-12-20-19(18)21-16-7-4-3-5-8-16/h3-13,22H,1-2H3,(H,20,21).
What are the key properties of 2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide?
2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide has a molecular weight of 353.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 50845504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).