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

C20H15N3O4S2 — CID 135498345

IUPAC4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C=C3SC(=O)N/C3=N\c3ccccc3)o2)cc1
InChIInChI=1S/C20H15N3O4S2/c21-29(25,26)16-9-6-13(7-10-16)17-11-8-15(27-17)12-18-19(23-20(24)28-18)22-14-4-2-1-3-5-14/h1-12H,(H2,21,25,26)(H,22,23,24)
InChIKeyNXDRMUYARGALQO-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.12
Rot. Bonds4

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

4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide (PubChem CID 135498345) has the molecular formula C20H15N3O4S2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
PubChem CID135498345
Molecular FormulaC20H15N3O4S2
Molecular Weight425.49 g/mol
Exact Mass425.05
IUPAC Name4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C=C3SC(=O)N/C3=N\c3ccccc3)o2)cc1
InChIInChI=1S/C20H15N3O4S2/c21-29(25,26)16-9-6-13(7-10-16)17-11-8-15(27-17)12-18-19(23-20(24)28-18)22-14-4-2-1-3-5-14/h1-12H,(H2,21,25,26)(H,22,23,24)
InChIKeyNXDRMUYARGALQO-UHFFFAOYSA-N
XLogP4.12
TPSA114.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135413275
(5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one
CID 135782430
4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
CID 3444492
4-[5-[(Z)-[4-(4-fluorophenyl)imino-2-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 135782451
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135782284
(5Z)-4-(3,4-dimethylphenyl)imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-2-one
CID 135782484
(5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87197083
5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one
CID 135470203
(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one
CID 135782246
(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one
CID 135711750
(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
CID 135782306
4-[[(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-oxo-1,3-thiazolidin-4-ylidene]amino]benzenesulfonamide
CID 135711742

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide (CID 135498345) is 4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(C=C3SC(=O)N/C3=N\c3ccccc3)o2)cc1.
What is the InChIKey of 4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide?
The InChIKey is NXDRMUYARGALQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S2/c21-29(25,26)16-9-6-13(7-10-16)17-11-8-15(27-17)12-18-19(23-20(24)28-18)22-14-4-2-1-3-5-14/h1-12H,(H2,21,25,26)(H,22,23,24).
What are the key properties of 4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide?
4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide has a molecular weight of 425.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide is sourced from PubChem (CID 135498345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).