4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide

C18H16FN3O3S — CID 162645190

IUPAC4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
SMILESCCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O3S/c1-2-18(23)16-11-17(12-3-9-15(10-4-12)26(20,24)25)22(21-16)14-7-5-13(19)6-8-14/h3-11H,2H2,1H3,(H2,20,24,25)
InChIKeyGTDUMWNZKGSRRT-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.92
Rot. Bonds5

About 4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide

4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide (PubChem CID 162645190) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
PubChem CID162645190
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
SMILESCCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O3S/c1-2-18(23)16-11-17(12-3-9-15(10-4-12)26(20,24)25)22(21-16)14-7-5-13(19)6-8-14/h3-11H,2H2,1H3,(H2,20,24,25)
InChIKeyGTDUMWNZKGSRRT-UHFFFAOYSA-N
XLogP2.92
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide (CID 162645190) is 4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide is CCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide?
The InChIKey is GTDUMWNZKGSRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-2-18(23)16-11-17(12-3-9-15(10-4-12)26(20,24)25)22(21-16)14-7-5-13(19)6-8-14/h3-11H,2H2,1H3,(H2,20,24,25).
What are the key properties of 4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide?
4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide has a molecular weight of 373.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 162645190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).