4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide

C20H19NO3S — CID 1359191

IUPAC4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)cc1
InChIInChI=1S/C20H19NO3S/c1-20(2,3)14-8-10-15(11-9-14)25(23,24)21-18-12-13-19(22)17-7-5-4-6-16(17)18/h4-13H,1-3H3
InChIKeyZCQYDGRCIZDWMV-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.91
Rot. Bonds2

About 4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide

4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide (PubChem CID 1359191) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
PubChem CID1359191
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)cc1
InChIInChI=1S/C20H19NO3S/c1-20(2,3)14-8-10-15(11-9-14)25(23,24)21-18-12-13-19(22)17-7-5-4-6-16(17)18/h4-13H,1-3H3
InChIKeyZCQYDGRCIZDWMV-UHFFFAOYSA-N
XLogP3.91
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide (CID 1359191) is 4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The InChIKey is ZCQYDGRCIZDWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-20(2,3)14-8-10-15(11-9-14)25(23,24)21-18-12-13-19(22)17-7-5-4-6-16(17)18/h4-13H,1-3H3.
What are the key properties of 4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 1359191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).