4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

C23H22FN3O2S — CID 2864686

IUPAC4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCCc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C23H22FN3O2S/c1-2-16-3-5-17(6-4-16)22-15-23(18-7-9-19(24)10-8-18)27(26-22)20-11-13-21(14-12-20)30(25,28)29/h3-14,23H,2,15H2,1H3,(H2,25,28,29)
InChIKeyGDBACTKUHTUEGA-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.39
Rot. Bonds5

About 4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 2864686) has the molecular formula C23H22FN3O2S and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID2864686
Molecular FormulaC23H22FN3O2S
Molecular Weight423.51 g/mol
Exact Mass423.14
IUPAC Name4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCCc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C23H22FN3O2S/c1-2-16-3-5-17(6-4-16)22-15-23(18-7-9-19(24)10-8-18)27(26-22)20-11-13-21(14-12-20)30(25,28)29/h3-14,23H,2,15H2,1H3,(H2,25,28,29)
InChIKeyGDBACTKUHTUEGA-UHFFFAOYSA-N
XLogP4.39
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 2864686) is 4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide is CCc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is GDBACTKUHTUEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2S/c1-2-16-3-5-17(6-4-16)22-15-23(18-7-9-19(24)10-8-18)27(26-22)20-11-13-21(14-12-20)30(25,28)29/h3-14,23H,2,15H2,1H3,(H2,25,28,29).
What are the key properties of 4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 423.51 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 2864686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).