4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C18H14N4O3S2 — CID 91895651

IUPAC4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1Nc2ccccc2C1/C=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,15H,(H,19,22)(H,21,23)/b20-11+
InChIKeyFMWOSOQYOAWCGC-RGVLZGJSSA-N
MW398.47 g/mol
LogP3.38
Rot. Bonds5

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

4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 91895651) has the molecular formula C18H14N4O3S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID91895651
Molecular FormulaC18H14N4O3S2
Molecular Weight398.47 g/mol
Exact Mass398.05
IUPAC Name4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1Nc2ccccc2C1/C=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,15H,(H,19,22)(H,21,23)/b20-11+
InChIKeyFMWOSOQYOAWCGC-RGVLZGJSSA-N
XLogP3.38
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 91895651) is 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1Nc2ccccc2C1/C=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is FMWOSOQYOAWCGC-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,15H,(H,19,22)(H,21,23)/b20-11+.
What are the key properties of 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 398.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 91895651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).