N-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide

C12H13FN2O3S2 — CID 3683002

IUPACN-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCCN1C(=O)C(C)SC1=NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3S2/c1-3-15-11(16)8(2)19-12(15)14-20(17,18)10-6-4-9(13)5-7-10/h4-8H,3H2,1-2H3
InChIKeyWERBFKCUZXQZNG-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.85
Rot. Bonds3

About N-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide

N-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide (PubChem CID 3683002) has the molecular formula C12H13FN2O3S2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide
PubChem CID3683002
Molecular FormulaC12H13FN2O3S2
Molecular Weight316.38 g/mol
Exact Mass316.04
IUPAC NameN-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCCN1C(=O)C(C)SC1=NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3S2/c1-3-15-11(16)8(2)19-12(15)14-20(17,18)10-6-4-9(13)5-7-10/h4-8H,3H2,1-2H3
InChIKeyWERBFKCUZXQZNG-UHFFFAOYSA-N
XLogP1.85
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-oxo-6-(trifluoromethyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]benzenesulfonamide
CID 3235976
(2E)-5-methyl-3-(phenylsulfonyl)-2-(prop-2-en-1-ylimino)-1,3-thiazolidin-4-one
CID 2998776
N-[(2Z)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 9660718
N-[(2Z)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 9660877
2-Pyrrolidinone, 5-(ethylthio)-1-(phenylsulfonyl)-
CID 3078171
2-[(Z)-Allylimino]-3-benzenesulfonyl-thiazolidin-4-one
CID 653159
3-methyl-6-[(phenylsulfonyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
CID 667001
N-[(2Z)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
CID 6516792
4-chloro-N-[(2Z)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 6507306
4-chloro-N-[(2Z)-5-methyl-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 6519437
(NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 6323881
N-[(2E,5E)-5-[(Dimethylamino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 2133645

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide (CID 3683002) is N-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide is CCN1C(=O)C(C)SC1=NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
The InChIKey is WERBFKCUZXQZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S2/c1-3-15-11(16)8(2)19-12(15)14-20(17,18)10-6-4-9(13)5-7-10/h4-8H,3H2,1-2H3.
What are the key properties of N-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
N-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3683002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).