2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole

C22H15F2NO3S2 — CID 11855321

IUPAC2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole
SMILESO=S(=O)(c1ccc(COc2ccc(F)cc2F)cc1)c1ccccc1-c1nccs1
InChIInChI=1S/C22H15F2NO3S2/c23-16-7-10-20(19(24)13-16)28-14-15-5-8-17(9-6-15)30(26,27)21-4-2-1-3-18(21)22-25-11-12-29-22/h1-13H,14H2
InChIKeyVTXFXDIKQHFVCO-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.50
Rot. Bonds6

About 2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole

2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole (PubChem CID 11855321) has the molecular formula C22H15F2NO3S2 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole
PubChem CID11855321
Molecular FormulaC22H15F2NO3S2
Molecular Weight443.50 g/mol
Exact Mass443.05
IUPAC Name2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole
SMILESO=S(=O)(c1ccc(COc2ccc(F)cc2F)cc1)c1ccccc1-c1nccs1
InChIInChI=1S/C22H15F2NO3S2/c23-16-7-10-20(19(24)13-16)28-14-15-5-8-17(9-6-15)30(26,27)21-4-2-1-3-18(21)22-25-11-12-29-22/h1-13H,14H2
InChIKeyVTXFXDIKQHFVCO-UHFFFAOYSA-N
XLogP5.50
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole?
The IUPAC name of 2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole (CID 11855321) is 2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole?
The canonical SMILES for 2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole is O=S(=O)(c1ccc(COc2ccc(F)cc2F)cc1)c1ccccc1-c1nccs1.
What is the InChIKey of 2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole?
The InChIKey is VTXFXDIKQHFVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2NO3S2/c23-16-7-10-20(19(24)13-16)28-14-15-5-8-17(9-6-15)30(26,27)21-4-2-1-3-18(21)22-25-11-12-29-22/h1-13H,14H2.
What are the key properties of 2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole?
2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole has a molecular weight of 443.50 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylphenyl]-1,3-thiazole is sourced from PubChem (CID 11855321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).