2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide

C18H15NO3S — CID 2862866

IUPAC2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)c(C)c1
InChIInChI=1S/C18H15NO3S/c1-12-7-10-18(13(2)11-12)23(21,22)19-16-8-9-17(20)15-6-4-3-5-14(15)16/h3-11H,1-2H3
InChIKeyAWAQREHBGQRFII-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.23
Rot. Bonds2

About 2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide

2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide (PubChem CID 2862866) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
PubChem CID2862866
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)c(C)c1
InChIInChI=1S/C18H15NO3S/c1-12-7-10-18(13(2)11-12)23(21,22)19-16-8-9-17(20)15-6-4-3-5-14(15)16/h3-11H,1-2H3
InChIKeyAWAQREHBGQRFII-UHFFFAOYSA-N
XLogP3.23
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.23
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'}

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Related Compounds

N-(4-oxo-1(4H)-naphthalenylidene)benzenesulfonamide
CID 247699
4-fluoro-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
CID 746355
[((4Z)-1-oxo-4-{[(2,4,5-trimethylphenyl)sulfonyl]imino}-1,4-dihydronaphthalen-2-yl)thio]acetic acid
CID 6799675
CID 3327796
CID 3327796
CID 3583948
CID 3583948
14,14-Dioxo-14lambda6-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
CID 4527325
4-ethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
CID 9664612
2,4-dimethyl-N-[(1Z)-4-oxo-3-[(phenylsulfonyl)amino]naphthalen-1(4H)-ylidene]benzenesulfonamide
CID 42628196
(NZ)-N-[3-(4,4-dimethyl-2,6-dioxocyclohexyl)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide
CID 5440971
[(4E)-4-(4-methylphenyl)sulfonylimino-1-oxonaphthalen-2-yl] thiocyanate
CID 9586234
CID 3676835
CID 3676835
4-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]benzenesulfonamide
CID 5825639

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide (CID 2862866) is 2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The InChIKey is AWAQREHBGQRFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-12-7-10-18(13(2)11-12)23(21,22)19-16-8-9-17(20)15-6-4-3-5-14(15)16/h3-11H,1-2H3.
What are the key properties of 2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 2862866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).