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

C17H12N4O3S2 — CID 135451596

IUPAC4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1Nc2ccccc2/C1=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H12N4O3S2/c22-16-15(13-3-1-2-4-14(13)20-16)19-11-5-7-12(8-6-11)26(23,24)21-17-18-9-10-25-17/h1-10H,(H,18,21)(H,19,20,22)
InChIKeyIENXPWLDDAEWSQ-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.02
Rot. Bonds4

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

4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 135451596) has the molecular formula C17H12N4O3S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID135451596
Molecular FormulaC17H12N4O3S2
Molecular Weight384.44 g/mol
Exact Mass384.04
IUPAC Name4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1Nc2ccccc2/C1=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H12N4O3S2/c22-16-15(13-3-1-2-4-14(13)20-16)19-11-5-7-12(8-6-11)26(23,24)21-17-18-9-10-25-17/h1-10H,(H,18,21)(H,19,20,22)
InChIKeyIENXPWLDDAEWSQ-UHFFFAOYSA-N
XLogP3.02
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.02
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-1H-indol-3-ylidene)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 135451596) is 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1Nc2ccccc2/C1=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IENXPWLDDAEWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S2/c22-16-15(13-3-1-2-4-14(13)20-16)19-11-5-7-12(8-6-11)26(23,24)21-17-18-9-10-25-17/h1-10H,(H,18,21)(H,19,20,22).
What are the key properties of 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 384.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 135451596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).