(NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-2,5-dimethylbenzenesulfonamide

C24H20N2O5S2 — CID 24789788

IUPAC(NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)c1
InChIInChI=1S/C24H20N2O5S2/c1-16-12-13-17(2)23(14-16)33(30,31)25-21-15-22(24(27)20-11-7-6-10-19(20)21)26-32(28,29)18-8-4-3-5-9-18/h3-15,26H,1-2H3/b25-21+
InChIKeyBMOQFLLXUWAROU-NJNXFGOHSA-N
MW480.57 g/mol
LogP3.54
Rot. Bonds5

About (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-2,5-dimethylbenzenesulfonamide

(NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-2,5-dimethylbenzenesulfonamide (PubChem CID 24789788) 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]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-2,5-dimethylbenzenesulfonamide
PubChem CID24789788
Molecular FormulaC24H20N2O5S2
Molecular Weight480.57 g/mol
Exact Mass480.08
IUPAC Name(NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)c1
InChIInChI=1S/C24H20N2O5S2/c1-16-12-13-17(2)23(14-16)33(30,31)25-21-15-22(24(27)20-11-7-6-10-19(20)21)26-32(28,29)18-8-4-3-5-9-18/h3-15,26H,1-2H3/b25-21+
InChIKeyBMOQFLLXUWAROU-NJNXFGOHSA-N
XLogP3.54
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.54
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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Related Compounds

CID 16805904
CID 16805904
CID 4356814
CID 4356814
CID 6620739
CID 6620739
CID 12843056
CID 12843056
CID 24789807
CID 24789807
CID 42628196
CID 42628196
CID 746350
CID 746350
CID 3357966
CID 3357966
CID 6318289
CID 6318289
CID 9586236
CID 9586236
CID 9649400
CID 9649400
CID 22525634
CID 22525634

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-2,5-dimethylbenzenesulfonamide (CID 24789788) is (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)c1.
What is the InChIKey of (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-2,5-dimethylbenzenesulfonamide?
The InChIKey is BMOQFLLXUWAROU-NJNXFGOHSA-N. The full InChI is InChI=1S/C24H20N2O5S2/c1-16-12-13-17(2)23(14-16)33(30,31)25-21-15-22(24(27)20-11-7-6-10-19(20)21)26-32(28,29)18-8-4-3-5-9-18/h3-15,26H,1-2H3/b25-21+.
What are the key properties of (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-2,5-dimethylbenzenesulfonamide?
(NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-2,5-dimethylbenzenesulfonamide has a molecular weight of 480.57 g/mol, XLogP of 3.54, 5 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]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 24789788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).