N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide

C11H13FN2O3S2 — CID 43708243

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)C2CSCN2)c1
InChIInChI=1S/C11H13FN2O3S2/c1-19(16,17)7-2-3-8(12)9(4-7)14-11(15)10-5-18-6-13-10/h2-4,10,13H,5-6H2,1H3,(H,14,15)
InChIKeyJTTKWICEHJONMZ-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.83
Rot. Bonds3

About N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide

N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 43708243) has the molecular formula C11H13FN2O3S2 and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID43708243
Molecular FormulaC11H13FN2O3S2
Molecular Weight304.37 g/mol
Exact Mass304.04
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)C2CSCN2)c1
InChIInChI=1S/C11H13FN2O3S2/c1-19(16,17)7-2-3-8(12)9(4-7)14-11(15)10-5-18-6-13-10/h2-4,10,13H,5-6H2,1H3,(H,14,15)
InChIKeyJTTKWICEHJONMZ-UHFFFAOYSA-N
XLogP0.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 81433795
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 103585937
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152
N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281208
N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281804
N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777994
N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262947
N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide
CID 31929476
N-(2-bromo-4-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43711294
methyl 2,4-difluoro-5-(1,3-thiazolidine-4-carbonylamino)benzoate
CID 43712858
N-(3,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263074
N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43706823

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide (CID 43708243) is N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide is CS(=O)(=O)c1ccc(F)c(NC(=O)C2CSCN2)c1.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is JTTKWICEHJONMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S2/c1-19(16,17)7-2-3-8(12)9(4-7)14-11(15)10-5-18-6-13-10/h2-4,10,13H,5-6H2,1H3,(H,14,15).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43708243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).