4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide

C13H15N3O3S — CID 95005289

IUPAC4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide
SMILESCCn1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1=O
InChIInChI=1S/C13H15N3O3S/c1-2-16-8-7-11(9-13(16)17)15-20(18,19)12-5-3-10(14)4-6-12/h3-9,15H,2,14H2,1H3
InChIKeyAESLYZIJEPYEOC-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.25
Rot. Bonds4

About 4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide

4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide (PubChem CID 95005289) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide
PubChem CID95005289
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide
SMILESCCn1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1=O
InChIInChI=1S/C13H15N3O3S/c1-2-16-8-7-11(9-13(16)17)15-20(18,19)12-5-3-10(14)4-6-12/h3-9,15H,2,14H2,1H3
InChIKeyAESLYZIJEPYEOC-UHFFFAOYSA-N
XLogP1.25
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide;4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 174831493
4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide
CID 167933154
4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
CID 16790684
4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699512
4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
CID 13052807
4-amino-N-thiophen-3-ylbenzenesulfonamide
CID 66351658
4-amino-N-[2-(ethylamino)-6-(methylamino)-4-pyridinyl]benzenesulfonamide
CID 19353515
4-amino-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 50998348
N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide
CID 43551091
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087
4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103710399
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide (CID 95005289) is 4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide is CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1=O.
What is the InChIKey of 4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide?
The InChIKey is AESLYZIJEPYEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-2-16-8-7-11(9-13(16)17)15-20(18,19)12-5-3-10(14)4-6-12/h3-9,15H,2,14H2,1H3.
What are the key properties of 4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide?
4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 95005289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).