4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide

C26H19N3O4S2 — CID 3444492

IUPAC4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C=C3S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)o2)cc1
InChIInChI=1S/C26H19N3O4S2/c27-35(31,32)22-14-11-18(12-15-22)23-16-13-21(33-23)17-24-25(30)29(20-9-5-2-6-10-20)26(34-24)28-19-7-3-1-4-8-19/h1-17H,(H2,27,31,32)/b24-17?,28-26-
InChIKeyMFSFWAXWUYWIHO-AQXNVXIFSA-N
MW501.59 g/mol
LogP5.40
Rot. Bonds5

About 4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide

4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide (PubChem CID 3444492) has the molecular formula C26H19N3O4S2 and a molecular weight of 501.59 g/mol. Its IUPAC name is 4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
PubChem CID3444492
Molecular FormulaC26H19N3O4S2
Molecular Weight501.59 g/mol
Exact Mass501.08
IUPAC Name4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C=C3S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)o2)cc1
InChIInChI=1S/C26H19N3O4S2/c27-35(31,32)22-14-11-18(12-15-22)23-16-13-21(33-23)17-24-25(30)29(20-9-5-2-6-10-20)26(34-24)28-19-7-3-1-4-8-19/h1-17H,(H2,27,31,32)/b24-17?,28-26-
InChIKeyMFSFWAXWUYWIHO-AQXNVXIFSA-N
XLogP5.40
TPSA105.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
CID 135498345
5-[(5-bromofuran-2-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 1240976
2-[5-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 2257597
5-[(5-nitrofuran-2-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 1211318
4-[5-[[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzenesulfonamide
CID 3114636
4-[5-[(E)-[3-(3-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzenesulfonamide
CID 21178646
(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 6522051
5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 4113410
3-[5-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 127029196
(5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 88888408
(5E)-5-[[4-(furan-2-yl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 44515522
(5Z)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 88888210

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide (CID 3444492) is 4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(C=C3S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)o2)cc1.
What is the InChIKey of 4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide?
The InChIKey is MFSFWAXWUYWIHO-AQXNVXIFSA-N. The full InChI is InChI=1S/C26H19N3O4S2/c27-35(31,32)22-14-11-18(12-15-22)23-16-13-21(33-23)17-24-25(30)29(20-9-5-2-6-10-20)26(34-24)28-19-7-3-1-4-8-19/h1-17H,(H2,27,31,32)/b24-17?,28-26-.
What are the key properties of 4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide?
4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide has a molecular weight of 501.59 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide is sourced from PubChem (CID 3444492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).