2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide

C23H34FN3O4S — CID 150408358

IUPAC2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(C)(C)O)n(C(C)C)n1
InChIInChI=1S/C23H34FN3O4S/c1-13(2)17-9-16(24)10-18(14(3)4)19(17)11-21(28)26-32(30,31)22-12-20(23(7,8)29)27(25-22)15(5)6/h9-10,12-15,29H,11H2,1-8H3,(H,26,28)
InChIKeyHFGHPBYXGGRMGV-UHFFFAOYSA-N
MW467.61 g/mol
LogP4.12
Rot. Bonds8

About 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide

2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide (PubChem CID 150408358) has the molecular formula C23H34FN3O4S and a molecular weight of 467.61 g/mol. Its IUPAC name is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
PubChem CID150408358
Molecular FormulaC23H34FN3O4S
Molecular Weight467.61 g/mol
Exact Mass467.23
IUPAC Name2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(C)(C)O)n(C(C)C)n1
InChIInChI=1S/C23H34FN3O4S/c1-13(2)17-9-16(24)10-18(14(3)4)19(17)11-21(28)26-32(30,31)22-12-20(23(7,8)29)27(25-22)15(5)6/h9-10,12-15,29H,11H2,1-8H3,(H,26,28)
InChIKeyHFGHPBYXGGRMGV-UHFFFAOYSA-N
XLogP4.12
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
The IUPAC name of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide (CID 150408358) is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide.
What is the SMILES notation for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
The canonical SMILES for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide is CC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(C)(C)O)n(C(C)C)n1.
What is the InChIKey of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
The InChIKey is HFGHPBYXGGRMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O4S/c1-13(2)17-9-16(24)10-18(14(3)4)19(17)11-21(28)26-32(30,31)22-12-20(23(7,8)29)27(25-22)15(5)6/h9-10,12-15,29H,11H2,1-8H3,(H,26,28).
What are the key properties of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide has a molecular weight of 467.61 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide is sourced from PubChem (CID 150408358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).