4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide

C18H15NO4S — CID 5202306

IUPAC4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)cc1
InChIInChI=1S/C18H15NO4S/c1-2-23-13-7-9-14(10-8-13)24(21,22)19-17-11-12-18(20)16-6-4-3-5-15(16)17/h3-12H,2H2,1H3
InChIKeyJTVQYPFKKQDBIX-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.02
Rot. Bonds4

About 4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide

4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide (PubChem CID 5202306) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
PubChem CID5202306
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)cc1
InChIInChI=1S/C18H15NO4S/c1-2-23-13-7-9-14(10-8-13)24(21,22)19-17-11-12-18(20)16-6-4-3-5-15(16)17/h3-12H,2H2,1H3
InChIKeyJTVQYPFKKQDBIX-UHFFFAOYSA-N
XLogP3.02
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide (CID 5202306) is 4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)cc1.
What is the InChIKey of 4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The InChIKey is JTVQYPFKKQDBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-2-23-13-7-9-14(10-8-13)24(21,22)19-17-11-12-18(20)16-6-4-3-5-15(16)17/h3-12H,2H2,1H3.
What are the key properties of 4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide has a molecular weight of 341.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 5202306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).