(NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide

C24H20N2O5S2 — CID 22525634

IUPAC(NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O5S2/c1-2-17-12-14-19(15-13-17)33(30,31)25-22-16-23(24(27)21-11-7-6-10-20(21)22)26-32(28,29)18-8-4-3-5-9-18/h3-16,26H,2H2,1H3/b25-22+
InChIKeyBVHFEGZKDGKGSM-YYDJUVGSSA-N
MW480.57 g/mol
LogP3.49
Rot. Bonds6

About (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide

(NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide (PubChem CID 22525634) has the molecular formula C24H20N2O5S2 and a molecular weight of 480.57 g/mol. Its IUPAC name is (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide
PubChem CID22525634
Molecular FormulaC24H20N2O5S2
Molecular Weight480.57 g/mol
Exact Mass480.08
IUPAC Name(NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O5S2/c1-2-17-12-14-19(15-13-17)33(30,31)25-22-16-23(24(27)21-11-7-6-10-20(21)22)26-32(28,29)18-8-4-3-5-9-18/h3-16,26H,2H2,1H3/b25-22+
InChIKeyBVHFEGZKDGKGSM-YYDJUVGSSA-N
XLogP3.49
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.49
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide?
The IUPAC name of (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide (CID 22525634) is (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1.
What is the InChIKey of (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide?
The InChIKey is BVHFEGZKDGKGSM-YYDJUVGSSA-N. The full InChI is InChI=1S/C24H20N2O5S2/c1-2-17-12-14-19(15-13-17)33(30,31)25-22-16-23(24(27)21-11-7-6-10-20(21)22)26-32(28,29)18-8-4-3-5-9-18/h3-16,26H,2H2,1H3/b25-22+.
What are the key properties of (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide?
(NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide has a molecular weight of 480.57 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 22525634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).