4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C26H18Cl2N4O4S3 — CID 18806991

IUPAC4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESC=CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)S/C1=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C26H18Cl2N4O4S3/c1-2-10-32-24(33)23(15-20-5-8-22(36-20)16-12-17(27)14-18(28)13-16)38-26(32)30-19-3-6-21(7-4-19)39(34,35)31-25-29-9-11-37-25/h2-9,11-15H,1,10H2,(H,29,31)/b23-15-,30-26-
InChIKeyFHJPZRYFXUZHPT-GFRXOEILSA-N
MW617.56 g/mol
LogP7.30
Rot. Bonds8

About 4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 18806991) has the molecular formula C26H18Cl2N4O4S3 and a molecular weight of 617.56 g/mol. Its IUPAC name is 4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID18806991
Molecular FormulaC26H18Cl2N4O4S3
Molecular Weight617.56 g/mol
Exact Mass615.99
IUPAC Name4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESC=CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)S/C1=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C26H18Cl2N4O4S3/c1-2-10-32-24(33)23(15-20-5-8-22(36-20)16-12-17(27)14-18(28)13-16)38-26(32)30-19-3-6-21(7-4-19)39(34,35)31-25-29-9-11-37-25/h2-9,11-15H,1,10H2,(H,29,31)/b23-15-,30-26-
InChIKeyFHJPZRYFXUZHPT-GFRXOEILSA-N
XLogP7.30
TPSA104.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.56
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 18806991) is 4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is C=CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)S/C1=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is FHJPZRYFXUZHPT-GFRXOEILSA-N. The full InChI is InChI=1S/C26H18Cl2N4O4S3/c1-2-10-32-24(33)23(15-20-5-8-22(36-20)16-12-17(27)14-18(28)13-16)38-26(32)30-19-3-6-21(7-4-19)39(34,35)31-25-29-9-11-37-25/h2-9,11-15H,1,10H2,(H,29,31)/b23-15-,30-26-.
What are the key properties of 4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 617.56 g/mol, XLogP of 7.30, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 18806991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).