N-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide

C20H19FN2O4S2 — CID 4653048

IUPACN-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCOCCCN1C(=O)C(=Cc2ccccc2F)SC1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H19FN2O4S2/c1-27-13-7-12-23-19(24)18(14-15-8-5-6-11-17(15)21)28-20(23)22-29(25,26)16-9-3-2-4-10-16/h2-6,8-11,14H,7,12-13H2,1H3
InChIKeyVTAOAFNLKHMMSN-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.52
Rot. Bonds7

About N-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide

N-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide (PubChem CID 4653048) has the molecular formula C20H19FN2O4S2 and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
PubChem CID4653048
Molecular FormulaC20H19FN2O4S2
Molecular Weight434.51 g/mol
Exact Mass434.08
IUPAC NameN-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCOCCCN1C(=O)C(=Cc2ccccc2F)SC1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H19FN2O4S2/c1-27-13-7-12-23-19(24)18(14-15-8-5-6-11-17(15)21)28-20(23)22-29(25,26)16-9-3-2-4-10-16/h2-6,8-11,14H,7,12-13H2,1H3
InChIKeyVTAOAFNLKHMMSN-UHFFFAOYSA-N
XLogP3.52
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 2141638
N-[5-[(2-fluorophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 1236598
N-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 2141645
N-[(5Z)-5-[(3-methoxy-4-pentoxyphenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 98157210
N-[5-[(3-methoxy-4-octoxyphenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 5201421
(NZ)-N-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
CID 6520720
(NE)-N-[(5Z)-5-[(3-heptoxy-4-methoxyphenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 6082988
5-chloro-N-[3-ethyl-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 3446495
(NE)-N-[(5Z)-3-ethyl-5-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 6053632
2-[3-[[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetonitrile
CID 4209861
(NE)-N-[(5Z)-3-ethyl-5-[(4-heptoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 6148566
N-[3-ethyl-5-[(3-methoxy-4-nonoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 3273636

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide (CID 4653048) is N-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide is COCCCN1C(=O)C(=Cc2ccccc2F)SC1=NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The InChIKey is VTAOAFNLKHMMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4S2/c1-27-13-7-12-23-19(24)18(14-15-8-5-6-11-17(15)21)28-20(23)22-29(25,26)16-9-3-2-4-10-16/h2-6,8-11,14H,7,12-13H2,1H3.
What are the key properties of N-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
N-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide has a molecular weight of 434.51 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 4653048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).