4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide

C13H16N4O4S — CID 3616965

IUPAC4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide
SMILESCCOc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1OC
InChIInChI=1S/C13H16N4O4S/c1-3-21-11-8-15-13(16-12(11)20-2)17-22(18,19)10-6-4-9(14)5-7-10/h4-8H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyOFVFPQRIJUCEIP-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.27
Rot. Bonds6

About 4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide

4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide (PubChem CID 3616965) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is 4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide
PubChem CID3616965
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC Name4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide
SMILESCCOc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1OC
InChIInChI=1S/C13H16N4O4S/c1-3-21-11-8-15-13(16-12(11)20-2)17-22(18,19)10-6-4-9(14)5-7-10/h4-8H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyOFVFPQRIJUCEIP-UHFFFAOYSA-N
XLogP1.27
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide
CID 154127675
4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;hydrate
CID 45052589
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol
CID 68855747
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 170923254
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide
CID 165350307
N-(5-amino-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 43327268
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 17134
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform
CID 68857071
4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver
CID 118386705

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide (CID 3616965) is 4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide is CCOc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1OC.
What is the InChIKey of 4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide?
The InChIKey is OFVFPQRIJUCEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c1-3-21-11-8-15-13(16-12(11)20-2)17-22(18,19)10-6-4-9(14)5-7-10/h4-8H,3,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide?
4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide has a molecular weight of 324.36 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 3616965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).