4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide

C19H16N4O4S — CID 57244101

IUPAC4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide
SMILESC/C(=N\c1ccc(S(N)(=O)=O)cc1)C1C(=O)Nc2ccc(-c3cnco3)cc21
InChIInChI=1S/C19H16N4O4S/c1-11(22-13-3-5-14(6-4-13)28(20,25)26)18-15-8-12(17-9-21-10-27-17)2-7-16(15)23-19(18)24/h2-10,18H,1H3,(H,23,24)(H2,20,25,26)/b22-11+
InChIKeyOPLHNOVRWYFVGR-SSDVNMTOSA-N
MW396.43 g/mol
LogP2.82
Rot. Bonds4

About 4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide

4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide (PubChem CID 57244101) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is 4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide
PubChem CID57244101
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC Name4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide
SMILESC/C(=N\c1ccc(S(N)(=O)=O)cc1)C1C(=O)Nc2ccc(-c3cnco3)cc21
InChIInChI=1S/C19H16N4O4S/c1-11(22-13-3-5-14(6-4-13)28(20,25)26)18-15-8-12(17-9-21-10-27-17)2-7-16(15)23-19(18)24/h2-10,18H,1H3,(H,23,24)(H2,20,25,26)/b22-11+
InChIKeyOPLHNOVRWYFVGR-SSDVNMTOSA-N
XLogP2.82
TPSA127.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]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 4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide (CID 57244101) is 4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide is C/C(=N\c1ccc(S(N)(=O)=O)cc1)C1C(=O)Nc2ccc(-c3cnco3)cc21.
What is the InChIKey of 4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide?
The InChIKey is OPLHNOVRWYFVGR-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H16N4O4S/c1-11(22-13-3-5-14(6-4-13)28(20,25)26)18-15-8-12(17-9-21-10-27-17)2-7-16(15)23-19(18)24/h2-10,18H,1H3,(H,23,24)(H2,20,25,26)/b22-11+.
What are the key properties of 4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide?
4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide has a molecular weight of 396.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 57244101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).