N-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide

C23H19FN4O3S — CID 67647098

IUPACN-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide
SMILESCC(=O)Nn1cc(-c2ccc(F)cc2)c(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C23H19FN4O3S/c1-16(29)25-28-15-22(17-7-11-19(24)12-8-17)23(26-28)18-9-13-21(14-10-18)32(30,31)27-20-5-3-2-4-6-20/h2-15,27H,1H3,(H,25,29)
InChIKeyHAINFFPOPUFMSF-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.25
Rot. Bonds6

About N-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide

N-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide (PubChem CID 67647098) has the molecular formula C23H19FN4O3S and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide
PubChem CID67647098
Molecular FormulaC23H19FN4O3S
Molecular Weight450.50 g/mol
Exact Mass450.12
IUPAC NameN-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide
SMILESCC(=O)Nn1cc(-c2ccc(F)cc2)c(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C23H19FN4O3S/c1-16(29)25-28-15-22(17-7-11-19(24)12-8-17)23(26-28)18-9-13-21(14-10-18)32(30,31)27-20-5-3-2-4-6-20/h2-15,27H,1H3,(H,25,29)
InChIKeyHAINFFPOPUFMSF-UHFFFAOYSA-N
XLogP4.25
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42345556
[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] acetate
CID 67644928
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 21205051
4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
CID 1472868
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate
CID 16595735
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-phenylbenzamide
CID 51161114
N-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
CID 67646420
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide
CID 18128242

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide (CID 67647098) is N-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide is CC(=O)Nn1cc(-c2ccc(F)cc2)c(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1.
What is the InChIKey of N-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide?
The InChIKey is HAINFFPOPUFMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3S/c1-16(29)25-28-15-22(17-7-11-19(24)12-8-17)23(26-28)18-9-13-21(14-10-18)32(30,31)27-20-5-3-2-4-6-20/h2-15,27H,1H3,(H,25,29).
What are the key properties of N-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide?
N-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide has a molecular weight of 450.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 67647098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).