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

C21H17F2N3O2S — CID 16832268

IUPAC4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccc(F)cc3)CC2c2ccccc2F)cc1
InChIInChI=1S/C21H17F2N3O2S/c22-15-7-5-14(6-8-15)20-13-21(18-3-1-2-4-19(18)23)26(25-20)16-9-11-17(12-10-16)29(24,27)28/h1-12,21H,13H2,(H2,24,27,28)
InChIKeyNPGQWFCYZRJBBC-UHFFFAOYSA-N
MW413.45 g/mol
LogP3.97
Rot. Bonds4

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

4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 16832268) has the molecular formula C21H17F2N3O2S and a molecular weight of 413.45 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID16832268
Molecular FormulaC21H17F2N3O2S
Molecular Weight413.45 g/mol
Exact Mass413.10
IUPAC Name4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccc(F)cc3)CC2c2ccccc2F)cc1
InChIInChI=1S/C21H17F2N3O2S/c22-15-7-5-14(6-8-15)20-13-21(18-3-1-2-4-19(18)23)26(25-20)16-9-11-17(12-10-16)29(24,27)28/h1-12,21H,13H2,(H2,24,27,28)
InChIKeyNPGQWFCYZRJBBC-UHFFFAOYSA-N
XLogP3.97
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 16832268) is 4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2N=C(c3ccc(F)cc3)CC2c2ccccc2F)cc1.
What is the InChIKey of 4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is NPGQWFCYZRJBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2S/c22-15-7-5-14(6-8-15)20-13-21(18-3-1-2-4-19(18)23)26(25-20)16-9-11-17(12-10-16)29(24,27)28/h1-12,21H,13H2,(H2,24,27,28).
What are the key properties of 4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 413.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 16832268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).