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

C21H18FN3O2S — CID 2864865

IUPAC4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FN3O2S/c22-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)24-25(21)18-10-12-19(13-11-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)
InChIKeyXIXJFFXXLOPVMW-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.83
Rot. Bonds4

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

4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 2864865) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID2864865
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FN3O2S/c22-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)24-25(21)18-10-12-19(13-11-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)
InChIKeyXIXJFFXXLOPVMW-UHFFFAOYSA-N
XLogP3.83
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 2864865) is 4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is XIXJFFXXLOPVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c22-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)24-25(21)18-10-12-19(13-11-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27).
What are the key properties of 4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 395.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 2864865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).