3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

C12H11ClF4N2O3S2 — CID 47027469

IUPAC3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CSCN1S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H11ClF4N2O3S2/c13-8-3-7(14)1-2-10(8)24(21,22)19-6-23-4-9(19)11(20)18-5-12(15,16)17/h1-3,9H,4-6H2,(H,18,20)
InChIKeyDQJVLCLDLRRZDS-UHFFFAOYSA-N
MW406.81 g/mol
LogP2.22
Rot. Bonds4

About 3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 47027469) has the molecular formula C12H11ClF4N2O3S2 and a molecular weight of 406.81 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID47027469
Molecular FormulaC12H11ClF4N2O3S2
Molecular Weight406.81 g/mol
Exact Mass405.98
IUPAC Name3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CSCN1S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H11ClF4N2O3S2/c13-8-3-7(14)1-2-10(8)24(21,22)19-6-23-4-9(19)11(20)18-5-12(15,16)17/h1-3,9H,4-6H2,(H,18,20)
InChIKeyDQJVLCLDLRRZDS-UHFFFAOYSA-N
XLogP2.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.81
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (CID 47027469) is 3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCC(F)(F)F)C1CSCN1S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DQJVLCLDLRRZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF4N2O3S2/c13-8-3-7(14)1-2-10(8)24(21,22)19-6-23-4-9(19)11(20)18-5-12(15,16)17/h1-3,9H,4-6H2,(H,18,20).
What are the key properties of 3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 406.81 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 47027469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).