2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide

C22H18FN3O2S — CID 67645020

IUPAC2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1nn(Cc2ccccc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C22H18FN3O2S/c23-18-12-10-17(11-13-18)20-15-26(14-16-6-2-1-3-7-16)25-22(20)19-8-4-5-9-21(19)29(24,27)28/h1-13,15H,14H2,(H2,24,27,28)
InChIKeyKIZWUZLDKCTQLL-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.05
Rot. Bonds5

About 2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide

2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 67645020) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID67645020
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC Name2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1nn(Cc2ccccc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C22H18FN3O2S/c23-18-12-10-17(11-13-18)20-15-26(14-16-6-2-1-3-7-16)25-22(20)19-8-4-5-9-21(19)29(24,27)28/h1-13,15H,14H2,(H2,24,27,28)
InChIKeyKIZWUZLDKCTQLL-UHFFFAOYSA-N
XLogP4.05
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide (CID 67645020) is 2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1nn(Cc2ccccc2)cc1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is KIZWUZLDKCTQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c23-18-12-10-17(11-13-18)20-15-26(14-16-6-2-1-3-7-16)25-22(20)19-8-4-5-9-21(19)29(24,27)28/h1-13,15H,14H2,(H2,24,27,28).
What are the key properties of 2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 407.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67645020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).