N-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide

C19H17NO3S — CID 3583948

IUPACN-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)cc1
InChIInChI=1S/C19H17NO3S/c1-13(2)14-7-9-15(10-8-14)24(22,23)20-18-11-12-19(21)17-6-4-3-5-16(17)18/h3-13H,1-2H3
InChIKeyKBUVHVRMEGICBK-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.74
Rot. Bonds3

About N-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide

N-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide (PubChem CID 3583948) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide
PubChem CID3583948
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC NameN-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)cc1
InChIInChI=1S/C19H17NO3S/c1-13(2)14-7-9-15(10-8-14)24(22,23)20-18-11-12-19(21)17-6-4-3-5-16(17)18/h3-13H,1-2H3
InChIKeyKBUVHVRMEGICBK-UHFFFAOYSA-N
XLogP3.74
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.74
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 N-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide (CID 3583948) is N-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)N=C2C=CC(=O)c3ccccc32)cc1.
What is the InChIKey of N-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is KBUVHVRMEGICBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-13(2)14-7-9-15(10-8-14)24(22,23)20-18-11-12-19(21)17-6-4-3-5-16(17)18/h3-13H,1-2H3.
What are the key properties of N-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide?
N-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxonaphthalen-1-ylidene)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 3583948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).