N-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide

C28H23FN4O2S — CID 22954069

IUPACN-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C28H23FN4O2S/c1-19(33-36(34,35)25-13-9-21(10-14-25)20-5-3-2-4-6-20)27-26(22-15-17-30-18-16-22)28(32-31-27)23-7-11-24(29)12-8-23/h2-19,33H,1H3,(H,31,32)
InChIKeyLYIZAOCVTKKDOM-UHFFFAOYSA-N
MW498.58 g/mol
LogP5.98
Rot. Bonds7

About N-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide

N-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide (PubChem CID 22954069) has the molecular formula C28H23FN4O2S and a molecular weight of 498.58 g/mol. Its IUPAC name is N-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide
PubChem CID22954069
Molecular FormulaC28H23FN4O2S
Molecular Weight498.58 g/mol
Exact Mass498.15
IUPAC NameN-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C28H23FN4O2S/c1-19(33-36(34,35)25-13-9-21(10-14-25)20-5-3-2-4-6-20)27-26(22-15-17-30-18-16-22)28(32-31-27)23-7-11-24(29)12-8-23/h2-19,33H,1H3,(H,31,32)
InChIKeyLYIZAOCVTKKDOM-UHFFFAOYSA-N
XLogP5.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide (CID 22954069) is N-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide is CC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of N-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide?
The InChIKey is LYIZAOCVTKKDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O2S/c1-19(33-36(34,35)25-13-9-21(10-14-25)20-5-3-2-4-6-20)27-26(22-15-17-30-18-16-22)28(32-31-27)23-7-11-24(29)12-8-23/h2-19,33H,1H3,(H,31,32).
What are the key properties of N-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide?
N-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide has a molecular weight of 498.58 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 22954069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).