4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide

C16H12FN3O3S2 — CID 16633486

IUPAC4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
SMILES[H]/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H12FN3O3S2/c17-11-3-1-10(2-4-11)9-14-15(21)20(16(18)24-14)12-5-7-13(8-6-12)25(19,22)23/h1-9,18H,(H2,19,22,23)/b14-9-,18-16-
InChIKeyCEMICZGHNLIFSN-BSYVZCAJSA-N
MW377.42 g/mol
LogP2.53
Rot. Bonds3

About 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide

4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide (PubChem CID 16633486) has the molecular formula C16H12FN3O3S2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
PubChem CID16633486
Molecular FormulaC16H12FN3O3S2
Molecular Weight377.42 g/mol
Exact Mass377.03
IUPAC Name4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
SMILES[H]/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H12FN3O3S2/c17-11-3-1-10(2-4-11)9-14-15(21)20(16(18)24-14)12-5-7-13(8-6-12)25(19,22)23/h1-9,18H,(H2,19,22,23)/b14-9-,18-16-
InChIKeyCEMICZGHNLIFSN-BSYVZCAJSA-N
XLogP2.53
TPSA104.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 16633484
4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 16633519
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16627109
(5E)-5-[(4-chlorophenyl)methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6342893
(5Z)-5-[(4-bromophenyl)methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 16633173
5-[(4-fluorophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 3446623
(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633567
4-[(5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 18824600
4-[(5Z)-2-imino-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 18824601
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 16633155
(5Z)-5-benzylidene-3-(3,4-dichlorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16633608
3-(4-fluorophenyl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 4111598

Frequently Asked Questions

What is the IUPAC name of 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide (CID 16633486) is 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide is [H]/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide?
The InChIKey is CEMICZGHNLIFSN-BSYVZCAJSA-N. The full InChI is InChI=1S/C16H12FN3O3S2/c17-11-3-1-10(2-4-11)9-14-15(21)20(16(18)24-14)12-5-7-13(8-6-12)25(19,22)23/h1-9,18H,(H2,19,22,23)/b14-9-,18-16-.
What are the key properties of 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide?
4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide has a molecular weight of 377.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 16633486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).