2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide

C19H19ClF3N3O3S2 — CID 20527332

IUPAC2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN1/C(=N/c2ccc(C(F)(F)F)cc2)SCC1(O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H19ClF3N3O3S2/c1-25(2)31(28,29)16-10-13(6-9-15(16)20)18(27)11-30-17(26(18)3)24-14-7-4-12(5-8-14)19(21,22)23/h4-10,27H,11H2,1-3H3/b24-17-
InChIKeyXLZFKTZIESJHEC-ULJHMMPZSA-N
MW493.96 g/mol
LogP4.12
Rot. Bonds4

About 2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide

2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 20527332) has the molecular formula C19H19ClF3N3O3S2 and a molecular weight of 493.96 g/mol. Its IUPAC name is 2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID20527332
Molecular FormulaC19H19ClF3N3O3S2
Molecular Weight493.96 g/mol
Exact Mass493.05
IUPAC Name2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN1/C(=N/c2ccc(C(F)(F)F)cc2)SCC1(O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H19ClF3N3O3S2/c1-25(2)31(28,29)16-10-13(6-9-15(16)20)18(27)11-30-17(26(18)3)24-14-7-4-12(5-8-14)19(21,22)23/h4-10,27H,11H2,1-3H3/b24-17-
InChIKeyXLZFKTZIESJHEC-ULJHMMPZSA-N
XLogP4.12
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.96
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide (CID 20527332) is 2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide is CN1/C(=N/c2ccc(C(F)(F)F)cc2)SCC1(O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is XLZFKTZIESJHEC-ULJHMMPZSA-N. The full InChI is InChI=1S/C19H19ClF3N3O3S2/c1-25(2)31(28,29)16-10-13(6-9-15(16)20)18(27)11-30-17(26(18)3)24-14-7-4-12(5-8-14)19(21,22)23/h4-10,27H,11H2,1-3H3/b24-17-.
What are the key properties of 2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide?
2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 493.96 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 20527332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).