2,5-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide

C18H15NO3S — CID 746350

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

About 2,5-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide

2,5-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide (PubChem CID 746350) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
PubChem CID746350
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name2,5-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)c1
InChIInChI=1S/C18H15NO3S/c1-12-7-8-13(2)18(11-12)23(21,22)19-16-9-10-17(20)15-6-4-3-5-14(15)16/h3-11H,1-2H3
InChIKeyNSNRNCRPSJSIRI-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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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide (CID 746350) is 2,5-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)c1.
What is the InChIKey of 2,5-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The InChIKey is NSNRNCRPSJSIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-12-7-8-13(2)18(11-12)23(21,22)19-16-9-10-17(20)15-6-4-3-5-14(15)16/h3-11H,1-2H3.
What are the key properties of 2,5-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
2,5-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 2,5-dimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 746350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).