2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

C13H15N3O3S — CID 61125702

IUPAC2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C13H15N3O3S/c1-9-4-3-5-11(14)13(9)20(18,19)15-10-6-7-12(17)16(2)8-10/h3-8,15H,14H2,1-2H3
InChIKeyYBBZPIVEQAGJBV-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.08
Rot. Bonds3

About 2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (PubChem CID 61125702) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
PubChem CID61125702
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C13H15N3O3S/c1-9-4-3-5-11(14)13(9)20(18,19)15-10-6-7-12(17)16(2)8-10/h3-8,15H,14H2,1-2H3
InChIKeyYBBZPIVEQAGJBV-UHFFFAOYSA-N
XLogP1.08
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (CID 61125702) is 2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)Nc1ccc(=O)n(C)c1.
What is the InChIKey of 2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The InChIKey is YBBZPIVEQAGJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-9-4-3-5-11(14)13(9)20(18,19)15-10-6-7-12(17)16(2)8-10/h3-8,15H,14H2,1-2H3.
What are the key properties of 2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 61125702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).