4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide

C24H17FN4O2S — CID 142291667

IUPAC4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccc3cc(F)ccc3n2)cc1
InChIInChI=1S/C24H17FN4O2S/c25-18-7-13-21-17(14-18)6-12-22(27-21)24-15-23(16-4-2-1-3-5-16)28-29(24)19-8-10-20(11-9-19)32(26,30)31/h1-15H,(H2,26,30,31)
InChIKeyZFTQQJIELBVIMV-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.54
Rot. Bonds4

About 4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide

4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide (PubChem CID 142291667) has the molecular formula C24H17FN4O2S and a molecular weight of 444.49 g/mol. Its IUPAC name is 4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide
PubChem CID142291667
Molecular FormulaC24H17FN4O2S
Molecular Weight444.49 g/mol
Exact Mass444.11
IUPAC Name4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccc3cc(F)ccc3n2)cc1
InChIInChI=1S/C24H17FN4O2S/c25-18-7-13-21-17(14-18)6-12-22(27-21)24-15-23(16-4-2-1-3-5-16)28-29(24)19-8-10-20(11-9-19)32(26,30)31/h1-15H,(H2,26,30,31)
InChIKeyZFTQQJIELBVIMV-UHFFFAOYSA-N
XLogP4.54
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide (CID 142291667) is 4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccc3cc(F)ccc3n2)cc1.
What is the InChIKey of 4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is ZFTQQJIELBVIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2S/c25-18-7-13-21-17(14-18)6-12-22(27-21)24-15-23(16-4-2-1-3-5-16)28-29(24)19-8-10-20(11-9-19)32(26,30)31/h1-15H,(H2,26,30,31).
What are the key properties of 4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide?
4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 444.49 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 142291667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).