4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide

C24H20N2O5S — CID 4130213

IUPAC4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3OC)C(=O)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O5S/c1-30-16-11-13-17(14-12-16)32(28,29)26-21-15-22(24(27)19-8-4-3-7-18(19)21)25-20-9-5-6-10-23(20)31-2/h3-15,25H,1-2H3
InChIKeyMPYKIZWLSFLHOT-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.07
Rot. Bonds6

About 4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide

4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide (PubChem CID 4130213) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
PubChem CID4130213
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3OC)C(=O)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O5S/c1-30-16-11-13-17(14-12-16)32(28,29)26-21-15-22(24(27)19-8-4-3-7-18(19)21)25-20-9-5-6-10-23(20)31-2/h3-15,25H,1-2H3
InChIKeyMPYKIZWLSFLHOT-UHFFFAOYSA-N
XLogP4.07
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide (CID 4130213) is 4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide is COc1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3OC)C(=O)c3ccccc32)cc1.
What is the InChIKey of 4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The InChIKey is MPYKIZWLSFLHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-30-16-11-13-17(14-12-16)32(28,29)26-21-15-22(24(27)19-8-4-3-7-18(19)21)25-20-9-5-6-10-23(20)31-2/h3-15,25H,1-2H3.
What are the key properties of 4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide has a molecular weight of 448.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide is sourced from PubChem (CID 4130213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).