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

C18H14N4O4S — CID 57115904

IUPAC4-[[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccc(-c4cnco4)cc32)cc1
InChIInChI=1S/C18H14N4O4S/c19-27(24,25)13-4-2-12(3-5-13)21-8-15-14-7-11(17-9-20-10-26-17)1-6-16(14)22-18(15)23/h1-10,15H,(H,22,23)(H2,19,24,25)/b21-8+
InChIKeyJNLCGKQCDLVQAH-ODCIPOBUSA-N
MW382.40 g/mol
LogP2.43
Rot. Bonds4

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

4-[[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide (PubChem CID 57115904) has the molecular formula C18H14N4O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-[[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide
PubChem CID57115904
Molecular FormulaC18H14N4O4S
Molecular Weight382.40 g/mol
Exact Mass382.07
IUPAC Name4-[[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccc(-c4cnco4)cc32)cc1
InChIInChI=1S/C18H14N4O4S/c19-27(24,25)13-4-2-12(3-5-13)21-8-15-14-7-11(17-9-20-10-26-17)1-6-16(14)22-18(15)23/h1-10,15H,(H,22,23)(H2,19,24,25)/b21-8+
InChIKeyJNLCGKQCDLVQAH-ODCIPOBUSA-N
XLogP2.43
TPSA127.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]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-[[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide (CID 57115904) is 4-[[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccc(-c4cnco4)cc32)cc1.
What is the InChIKey of 4-[[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide?
The InChIKey is JNLCGKQCDLVQAH-ODCIPOBUSA-N. The full InChI is InChI=1S/C18H14N4O4S/c19-27(24,25)13-4-2-12(3-5-13)21-8-15-14-7-11(17-9-20-10-26-17)1-6-16(14)22-18(15)23/h1-10,15H,(H,22,23)(H2,19,24,25)/b21-8+.
What are the key properties of 4-[[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide?
4-[[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide has a molecular weight of 382.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1,3-oxazol-5-yl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 57115904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).