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

C19H13FIN3O2S2 — CID 2742764

IUPAC3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cccs2)nn1-c1ccc(I)cc1)c1cccc(F)c1
InChIInChI=1S/C19H13FIN3O2S2/c20-13-3-1-4-16(11-13)28(25,26)23-19-12-17(18-5-2-10-27-18)22-24(19)15-8-6-14(21)7-9-15/h1-12,23H
InChIKeyNZUDRRXHTGPLON-UHFFFAOYSA-N
MW525.37 g/mol
LogP5.15
Rot. Bonds5

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

3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide (PubChem CID 2742764) has the molecular formula C19H13FIN3O2S2 and a molecular weight of 525.37 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
PubChem CID2742764
Molecular FormulaC19H13FIN3O2S2
Molecular Weight525.37 g/mol
Exact Mass524.95
IUPAC Name3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cccs2)nn1-c1ccc(I)cc1)c1cccc(F)c1
InChIInChI=1S/C19H13FIN3O2S2/c20-13-3-1-4-16(11-13)28(25,26)23-19-12-17(18-5-2-10-27-18)22-24(19)15-8-6-14(21)7-9-15/h1-12,23H
InChIKeyNZUDRRXHTGPLON-UHFFFAOYSA-N
XLogP5.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.37
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide (CID 2742764) is 3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2cccs2)nn1-c1ccc(I)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The InChIKey is NZUDRRXHTGPLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FIN3O2S2/c20-13-3-1-4-16(11-13)28(25,26)23-19-12-17(18-5-2-10-27-18)22-24(19)15-8-6-14(21)7-9-15/h1-12,23H.
What are the key properties of 3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide has a molecular weight of 525.37 g/mol, XLogP of 5.15, 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-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 2742764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).