N-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide

C17H15FN2O3S — CID 71245984

IUPACN-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(/C=C2/C(=O)Nc3cc(F)ccc32)c1
InChIInChI=1S/C17H15FN2O3S/c1-2-19-24(22,23)13-5-3-4-11(8-13)9-15-14-7-6-12(18)10-16(14)20-17(15)21/h3-10,19H,2H2,1H3,(H,20,21)/b15-9+
InChIKeyDDOHNKZLVDTYBG-OQLLNIDSSA-N
MW346.38 g/mol
LogP2.62
Rot. Bonds4

About N-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide

N-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide (PubChem CID 71245984) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is N-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide
PubChem CID71245984
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC NameN-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(/C=C2/C(=O)Nc3cc(F)ccc32)c1
InChIInChI=1S/C17H15FN2O3S/c1-2-19-24(22,23)13-5-3-4-11(8-13)9-15-14-7-6-12(18)10-16(14)20-17(15)21/h3-10,19H,2H2,1H3,(H,20,21)/b15-9+
InChIKeyDDOHNKZLVDTYBG-OQLLNIDSSA-N
XLogP2.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
The IUPAC name of N-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide (CID 71245984) is N-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide is CCNS(=O)(=O)c1cccc(/C=C2/C(=O)Nc3cc(F)ccc32)c1.
What is the InChIKey of N-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
The InChIKey is DDOHNKZLVDTYBG-OQLLNIDSSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-2-19-24(22,23)13-5-3-4-11(8-13)9-15-14-7-6-12(18)10-16(14)20-17(15)21/h3-10,19H,2H2,1H3,(H,20,21)/b15-9+.
What are the key properties of N-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
N-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide has a molecular weight of 346.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(E)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide is sourced from PubChem (CID 71245984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).