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

C19H17NO3S — CID 3289029

IUPAC2,4,5-trimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)cc1C
InChIInChI=1S/C19H17NO3S/c1-12-10-14(3)19(11-13(12)2)24(22,23)20-17-8-9-18(21)16-7-5-4-6-15(16)17/h4-11H,1-3H3
InChIKeyUZQJFTHJTGKTAG-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.54
Rot. Bonds2

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

2,4,5-trimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide (PubChem CID 3289029) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
PubChem CID3289029
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name2,4,5-trimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)cc1C
InChIInChI=1S/C19H17NO3S/c1-12-10-14(3)19(11-13(12)2)24(22,23)20-17-8-9-18(21)16-7-5-4-6-15(16)17/h4-11H,1-3H3
InChIKeyUZQJFTHJTGKTAG-UHFFFAOYSA-N
XLogP3.54
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.54
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 2,4,5-trimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide (CID 3289029) is 2,4,5-trimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
The InChIKey is UZQJFTHJTGKTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-12-10-14(3)19(11-13(12)2)24(22,23)20-17-8-9-18(21)16-7-5-4-6-15(16)17/h4-11H,1-3H3.
What are the key properties of 2,4,5-trimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide?
2,4,5-trimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 3289029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).