3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide

C19H13F2N3O2S2 — CID 2742752

IUPAC3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cccs2)nn1-c1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C19H13F2N3O2S2/c20-13-6-8-15(9-7-13)24-19(12-17(22-24)18-5-2-10-27-18)23-28(25,26)16-4-1-3-14(21)11-16/h1-12,23H
InChIKeyGULUFDCOGAXLEP-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.68
Rot. Bonds5

About 3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide

3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide (PubChem CID 2742752) has the molecular formula C19H13F2N3O2S2 and a molecular weight of 417.46 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
PubChem CID2742752
Molecular FormulaC19H13F2N3O2S2
Molecular Weight417.46 g/mol
Exact Mass417.04
IUPAC Name3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cccs2)nn1-c1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C19H13F2N3O2S2/c20-13-6-8-15(9-7-13)24-19(12-17(22-24)18-5-2-10-27-18)23-28(25,26)16-4-1-3-14(21)11-16/h1-12,23H
InChIKeyGULUFDCOGAXLEP-UHFFFAOYSA-N
XLogP4.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide (CID 2742752) is 3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2cccs2)nn1-c1ccc(F)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The InChIKey is GULUFDCOGAXLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2S2/c20-13-6-8-15(9-7-13)24-19(12-17(22-24)18-5-2-10-27-18)23-28(25,26)16-4-1-3-14(21)11-16/h1-12,23H.
What are the key properties of 3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide has a molecular weight of 417.46 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 2742752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).