3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide

C19H20FN3O3S2 — CID 3989778

IUPAC3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
SMILESCC1CN(C(=O)c2ccccc2F)/C(=N/c2cccc(S(=O)(=O)N(C)C)c2)S1
InChIInChI=1S/C19H20FN3O3S2/c1-13-12-23(18(24)16-9-4-5-10-17(16)20)19(27-13)21-14-7-6-8-15(11-14)28(25,26)22(2)3/h4-11,13H,12H2,1-3H3/b21-19-
InChIKeyXSPOUZQHAFORCY-VZCXRCSSSA-N
MW421.52 g/mol
LogP3.34
Rot. Bonds4

About 3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide

3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 3989778) has the molecular formula C19H20FN3O3S2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
PubChem CID3989778
Molecular FormulaC19H20FN3O3S2
Molecular Weight421.52 g/mol
Exact Mass421.09
IUPAC Name3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
SMILESCC1CN(C(=O)c2ccccc2F)/C(=N/c2cccc(S(=O)(=O)N(C)C)c2)S1
InChIInChI=1S/C19H20FN3O3S2/c1-13-12-23(18(24)16-9-4-5-10-17(16)20)19(27-13)21-14-7-6-8-15(11-14)28(25,26)22(2)3/h4-11,13H,12H2,1-3H3/b21-19-
InChIKeyXSPOUZQHAFORCY-VZCXRCSSSA-N
XLogP3.34
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(5R)-3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 7742194
N,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 3478045
3-[[3-(2,3-dihydro-1-benzothiophene-2-carbonyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 24593515
3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 42907314
3-[[3-[3-[4-(dimethylamino)phenyl]propanoyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 24555088
3-[[3-(4-methoxy-3-nitrobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 3293753
[(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
CID 832823
N,N-dimethyl-3-[[5-methyl-3-[4-(3-methylphenoxy)butanoyl]-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 4241065
[(5R)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 8895471
(3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone
CID 8839914
(2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
CID 832819
N,N-dimethyl-3-nitrosobenzenesulfonamide
CID 146930978

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide (CID 3989778) is 3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide is CC1CN(C(=O)c2ccccc2F)/C(=N/c2cccc(S(=O)(=O)N(C)C)c2)S1.
What is the InChIKey of 3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is XSPOUZQHAFORCY-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H20FN3O3S2/c1-13-12-23(18(24)16-9-4-5-10-17(16)20)19(27-13)21-14-7-6-8-15(11-14)28(25,26)22(2)3/h4-11,13H,12H2,1-3H3/b21-19-.
What are the key properties of 3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide?
3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 3989778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).