N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide

C23H18N2O6S2 — CID 1181505

IUPACN-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=C2C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C23H18N2O6S2/c1-31-16-11-13-18(14-12-16)33(29,30)24-21-15-22(23(26)20-10-6-5-9-19(20)21)25-32(27,28)17-7-3-2-4-8-17/h2-15,25H,1H3
InChIKeyYWYJUYMGMGBZPD-UHFFFAOYSA-N
MW482.54 g/mol
LogP2.93
Rot. Bonds6

About N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide

N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide (PubChem CID 1181505) has the molecular formula C23H18N2O6S2 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
PubChem CID1181505
Molecular FormulaC23H18N2O6S2
Molecular Weight482.54 g/mol
Exact Mass482.06
IUPAC NameN-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=C2C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C23H18N2O6S2/c1-31-16-11-13-18(14-12-16)33(29,30)24-21-15-22(23(26)20-10-6-5-9-19(20)21)25-32(27,28)17-7-3-2-4-8-17/h2-15,25H,1H3
InChIKeyYWYJUYMGMGBZPD-UHFFFAOYSA-N
XLogP2.93
TPSA118.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 52.93
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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Related Compounds

N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide
CID 1184117
4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 4130213
[(10-Oxoanthracen-9-ylidene)amino] 4-methoxybenzenesulfonate
CID 46855321
(NE)-4-methoxy-N-[4-oxidanylidene-3-(phenylsulfonylamino)naphthalen-1-ylidene]benzenesulfonamide
CID 17749659
4-methoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
CID 754023
4-methoxy-N-[3-(4-methylanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 992603
p-methoxyphenyl(oxo)[(Z)-4-oxo-3-m-toluidino-1,4-dihydro-1-naphthylideneamino]-lambda-sulfaniumolate
CID 1184123
4-ethoxy-N-[3-(3-methylanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 1184124
N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide
CID 3626227
4-ethoxy-N-[3-(4-methylanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 4063200
p-ethoxyphenyl(oxo)[(E)-4-oxo-1,4-dihydro-1-naphthylideneamino]-lambda-sulfaniumolate
CID 5202306
N-[3-[2-(4-methoxyphenyl)ethylimino]-4-oxonaphthalen-1-yl]-2,4,6-trimethylbenzenesulfonamide
CID 57519572

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide (CID 1181505) is N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N=C2C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide?
The InChIKey is YWYJUYMGMGBZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O6S2/c1-31-16-11-13-18(14-12-16)33(29,30)24-21-15-22(23(26)20-10-6-5-9-19(20)21)25-32(27,28)17-7-3-2-4-8-17/h2-15,25H,1H3.
What are the key properties of N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide?
N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide has a molecular weight of 482.54 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1181505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).