2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole

C18H14Cl2FNO3S2 — CID 149343583

IUPAC2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole
SMILESC[C@H](Oc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C18H14Cl2FNO3S2/c1-11(12-4-2-3-5-13(12)19)25-16-9-15(21)17(8-14(16)20)27(23,24)10-18-22-6-7-26-18/h2-9,11H,10H2,1H3/t11-/m0/s1
InChIKeyYEQKUIOFDTZZQG-NSHDSACASA-N
MW446.35 g/mol
LogP5.70
Rot. Bonds6

About 2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole

2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole (PubChem CID 149343583) has the molecular formula C18H14Cl2FNO3S2 and a molecular weight of 446.35 g/mol. Its IUPAC name is 2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole
PubChem CID149343583
Molecular FormulaC18H14Cl2FNO3S2
Molecular Weight446.35 g/mol
Exact Mass444.98
IUPAC Name2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole
SMILESC[C@H](Oc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C18H14Cl2FNO3S2/c1-11(12-4-2-3-5-13(12)19)25-16-9-15(21)17(8-14(16)20)27(23,24)10-18-22-6-7-26-18/h2-9,11H,10H2,1H3/t11-/m0/s1
InChIKeyYEQKUIOFDTZZQG-NSHDSACASA-N
XLogP5.70
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.35
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole?
The IUPAC name of 2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole (CID 149343583) is 2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole is C[C@H](Oc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole?
The InChIKey is YEQKUIOFDTZZQG-NSHDSACASA-N. The full InChI is InChI=1S/C18H14Cl2FNO3S2/c1-11(12-4-2-3-5-13(12)19)25-16-9-15(21)17(8-14(16)20)27(23,24)10-18-22-6-7-26-18/h2-9,11H,10H2,1H3/t11-/m0/s1.
What are the key properties of 2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole?
2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole has a molecular weight of 446.35 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2-fluorophenyl]sulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 149343583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).