4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide

C20H13N3O4S2 — CID 5429068

IUPAC4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)cc1
InChIInChI=1S/C20H13N3O4S2/c21-29(25,26)14-8-5-12(6-9-14)17-10-7-13(27-17)11-18-19(24)23-16-4-2-1-3-15(16)22-20(23)28-18/h1-11H,(H2,21,25,26)/b18-11-
InChIKeyUVJKLNBXZSRQFM-WQRHYEAKSA-N
MW423.48 g/mol
LogP2.36
Rot. Bonds3

About 4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide

4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide (PubChem CID 5429068) has the molecular formula C20H13N3O4S2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide
PubChem CID5429068
Molecular FormulaC20H13N3O4S2
Molecular Weight423.48 g/mol
Exact Mass423.03
IUPAC Name4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)cc1
InChIInChI=1S/C20H13N3O4S2/c21-29(25,26)14-8-5-12(6-9-14)17-10-7-13(27-17)11-18-19(24)23-16-4-2-1-3-15(16)22-20(23)28-18/h1-11H,(H2,21,25,26)/b18-11-
InChIKeyUVJKLNBXZSRQFM-WQRHYEAKSA-N
XLogP2.36
TPSA107.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide (CID 5429068) is 4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)cc1.
What is the InChIKey of 4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide?
The InChIKey is UVJKLNBXZSRQFM-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H13N3O4S2/c21-29(25,26)14-8-5-12(6-9-14)17-10-7-13(27-17)11-18-19(24)23-16-4-2-1-3-15(16)22-20(23)28-18/h1-11H,(H2,21,25,26)/b18-11-.
What are the key properties of 4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide?
4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide has a molecular weight of 423.48 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzenesulfonamide is sourced from PubChem (CID 5429068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).