4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole

C18H11F2N3O2S2 — CID 2744796

IUPAC4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESO=S(=O)(c1ccc(F)cc1F)n1nccc1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H11F2N3O2S2/c19-13-6-7-17(14(20)10-13)27(24,25)23-16(8-9-21-23)15-11-26-18(22-15)12-4-2-1-3-5-12/h1-11H
InChIKeyQFBGZRJCAULSPX-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.19
Rot. Bonds4

About 4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole

4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole (PubChem CID 2744796) has the molecular formula C18H11F2N3O2S2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole
PubChem CID2744796
Molecular FormulaC18H11F2N3O2S2
Molecular Weight403.44 g/mol
Exact Mass403.03
IUPAC Name4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESO=S(=O)(c1ccc(F)cc1F)n1nccc1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H11F2N3O2S2/c19-13-6-7-17(14(20)10-13)27(24,25)23-16(8-9-21-23)15-11-26-18(22-15)12-4-2-1-3-5-12/h1-11H
InChIKeyQFBGZRJCAULSPX-UHFFFAOYSA-N
XLogP4.19
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole (CID 2744796) is 4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole is O=S(=O)(c1ccc(F)cc1F)n1nccc1-c1csc(-c2ccccc2)n1.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole?
The InChIKey is QFBGZRJCAULSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3O2S2/c19-13-6-7-17(14(20)10-13)27(24,25)23-16(8-9-21-23)15-11-26-18(22-15)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole?
4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole has a molecular weight of 403.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 2744796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).