2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide

C18H18N2O4S — CID 162662428

IUPAC2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide
SMILESCC/C=C1\C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3OC)cc21
InChIInChI=1S/C18H18N2O4S/c1-3-6-13-14-11-12(9-10-15(14)19-18(13)21)20-25(22,23)17-8-5-4-7-16(17)24-2/h4-11,20H,3H2,1-2H3,(H,19,21)/b13-6-
InChIKeyUTKKEILKVMSISG-MLPAPPSSSA-N
MW358.42 g/mol
LogP3.24
Rot. Bonds5

About 2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide

2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide (PubChem CID 162662428) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide
PubChem CID162662428
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide
SMILESCC/C=C1\C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3OC)cc21
InChIInChI=1S/C18H18N2O4S/c1-3-6-13-14-11-12(9-10-15(14)19-18(13)21)20-25(22,23)17-8-5-4-7-16(17)24-2/h4-11,20H,3H2,1-2H3,(H,19,21)/b13-6-
InChIKeyUTKKEILKVMSISG-MLPAPPSSSA-N
XLogP3.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide (CID 162662428) is 2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide is CC/C=C1\C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3OC)cc21.
What is the InChIKey of 2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide?
The InChIKey is UTKKEILKVMSISG-MLPAPPSSSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-3-6-13-14-11-12(9-10-15(14)19-18(13)21)20-25(22,23)17-8-5-4-7-16(17)24-2/h4-11,20H,3H2,1-2H3,(H,19,21)/b13-6-.
What are the key properties of 2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide?
2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide is sourced from PubChem (CID 162662428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).