4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide

C24H19NO5S2 — CID 561333

IUPAC4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2C=C(S(=O)(=O)c3ccc(C)cc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C24H19NO5S2/c1-16-7-11-18(12-8-16)31(27,28)23-15-22(20-5-3-4-6-21(20)24(23)26)25-32(29,30)19-13-9-17(2)10-14-19/h3-15H,1-2H3
InChIKeyINGPJNBXKIVOSX-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.04
Rot. Bonds4

About 4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide

4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide (PubChem CID 561333) has the molecular formula C24H19NO5S2 and a molecular weight of 465.55 g/mol. Its IUPAC name is 4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide
PubChem CID561333
Molecular FormulaC24H19NO5S2
Molecular Weight465.55 g/mol
Exact Mass465.07
IUPAC Name4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2C=C(S(=O)(=O)c3ccc(C)cc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C24H19NO5S2/c1-16-7-11-18(12-8-16)31(27,28)23-15-22(20-5-3-4-6-21(20)24(23)26)25-32(29,30)19-13-9-17(2)10-14-19/h3-15H,1-2H3
InChIKeyINGPJNBXKIVOSX-UHFFFAOYSA-N
XLogP4.04
TPSA97.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[3,5-bis(benzenesulfonyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-4-methylbenzenesulfonamide
CID 3400464
4-methyl-N-[4-oxo-3-[(E)-(1-oxonaphthalen-2-ylidene)amino]oxynaphthalen-1-ylidene]benzenesulfonamide
CID 98158792
N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide
CID 3258439
N-(3-benzylsulfanyl-4-oxonaphthalen-1-ylidene)-4-methylbenzenesulfonamide
CID 40862364
2-[(4Z)-4-(4-methylphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylacetic acid
CID 6768784
4-ethyl-N-[3-(4-methylanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 3332874
N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide
CID 992594
4-[(Z)-[3-(4-methylanilino)-4-oxonaphthalen-1-ylidene]amino]sulfonylbenzoic acid
CID 6768805
N-(3-bromo-4-oxonaphthalen-1-ylidene)-4-tert-butylbenzenesulfonamide
CID 40910756
(NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide
CID 5497654
(NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide
CID 134860389
4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide
CID 85435433

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide (CID 561333) is 4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)N=C2C=C(S(=O)(=O)c3ccc(C)cc3)C(=O)c3ccccc32)cc1.
What is the InChIKey of 4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The InChIKey is INGPJNBXKIVOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5S2/c1-16-7-11-18(12-8-16)31(27,28)23-15-22(20-5-3-4-6-21(20)24(23)26)25-32(29,30)19-13-9-17(2)10-14-19/h3-15H,1-2H3.
What are the key properties of 4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide has a molecular weight of 465.55 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide is sourced from PubChem (CID 561333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).