N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide

C19H16N4O4S — CID 135400696

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)c1C
InChIInChI=1S/C19H16N4O4S/c1-11-12(2)22-27-19(11)23-28(25,26)14-9-7-13(8-10-14)20-17-15-5-3-4-6-16(15)21-18(17)24/h3-10,23H,1-2H3,(H,20,21,24)
InChIKeyFGUMXQPNQOHZAO-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.17
Rot. Bonds4

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide (PubChem CID 135400696) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
PubChem CID135400696
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)c1C
InChIInChI=1S/C19H16N4O4S/c1-11-12(2)22-27-19(11)23-28(25,26)14-9-7-13(8-10-14)20-17-15-5-3-4-6-16(15)21-18(17)24/h3-10,23H,1-2H3,(H,20,21,24)
InChIKeyFGUMXQPNQOHZAO-UHFFFAOYSA-N
XLogP3.17
TPSA113.66 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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]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 N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide (CID 135400696) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
The InChIKey is FGUMXQPNQOHZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c1-11-12(2)22-27-19(11)23-28(25,26)14-9-7-13(8-10-14)20-17-15-5-3-4-6-16(15)21-18(17)24/h3-10,23H,1-2H3,(H,20,21,24).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide has a molecular weight of 396.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 135400696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).