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

C20H15FN4O2S — CID 18674042

IUPACN-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1
InChIInChI=1S/C20H15FN4O2S/c21-16-8-6-15(7-9-16)19-18(14-10-12-22-13-11-14)20(24-23-19)25-28(26,27)17-4-2-1-3-5-17/h1-13H,(H2,23,24,25)
InChIKeyXOCCKMUNAVGXRH-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.08
Rot. Bonds5

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

N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 18674042) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID18674042
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1
InChIInChI=1S/C20H15FN4O2S/c21-16-8-6-15(7-9-16)19-18(14-10-12-22-13-11-14)20(24-23-19)25-28(26,27)17-4-2-1-3-5-17/h1-13H,(H2,23,24,25)
InChIKeyXOCCKMUNAVGXRH-UHFFFAOYSA-N
XLogP4.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]benzenesulfonamide (CID 18674042) is N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is XOCCKMUNAVGXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c21-16-8-6-15(7-9-16)19-18(14-10-12-22-13-11-14)20(24-23-19)25-28(26,27)17-4-2-1-3-5-17/h1-13H,(H2,23,24,25).
What are the key properties of N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]benzenesulfonamide?
N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 394.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 18674042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).