N-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide

C20H12Cl2N2O3S2 — CID 147110511

IUPACN-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide
SMILESO=C1NC(=NS(=O)(=O)c2cccc3ccccc23)S/C1=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H12Cl2N2O3S2/c21-14-9-8-13(16(22)11-14)10-17-19(25)23-20(28-17)24-29(26,27)18-7-3-5-12-4-1-2-6-15(12)18/h1-11H,(H,23,24,25)/b17-10-
InChIKeyBMKKOIWHXMLHRI-YVLHZVERSA-N
MW463.37 g/mol
LogP5.10
Rot. Bonds3

About N-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide

N-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide (PubChem CID 147110511) has the molecular formula C20H12Cl2N2O3S2 and a molecular weight of 463.37 g/mol. Its IUPAC name is N-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide
PubChem CID147110511
Molecular FormulaC20H12Cl2N2O3S2
Molecular Weight463.37 g/mol
Exact Mass461.97
IUPAC NameN-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide
SMILESO=C1NC(=NS(=O)(=O)c2cccc3ccccc23)S/C1=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H12Cl2N2O3S2/c21-14-9-8-13(16(22)11-14)10-17-19(25)23-20(28-17)24-29(26,27)18-7-3-5-12-4-1-2-6-15(12)18/h1-11H,(H,23,24,25)/b17-10-
InChIKeyBMKKOIWHXMLHRI-YVLHZVERSA-N
XLogP5.10
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.37
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide
CID 137289754
5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 135432394
(5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062838
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135602974
(5Z)-2-(2-bromophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135844599
(NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135430169
2-[[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135834515
[(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea
CID 137265880
(5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135603025
(5Z)-2-naphthalen-1-ylimino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135563192
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135523178
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135523358

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide?
The IUPAC name of N-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide (CID 147110511) is N-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide is O=C1NC(=NS(=O)(=O)c2cccc3ccccc23)S/C1=C\c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide?
The InChIKey is BMKKOIWHXMLHRI-YVLHZVERSA-N. The full InChI is InChI=1S/C20H12Cl2N2O3S2/c21-14-9-8-13(16(22)11-14)10-17-19(25)23-20(28-17)24-29(26,27)18-7-3-5-12-4-1-2-6-15(12)18/h1-11H,(H,23,24,25)/b17-10-.
What are the key properties of N-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide?
N-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide has a molecular weight of 463.37 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide is sourced from PubChem (CID 147110511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).