N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide

C19H18FN3O3S — CID 53075839

IUPACN-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1
InChIInChI=1S/C19H18FN3O3S/c1-12-19(13(2)23(21-12)18-9-7-16(20)8-10-18)27(25,26)22-17-6-4-5-15(11-17)14(3)24/h4-11,22H,1-3H3
InChIKeyZHZQKWQYVJRERS-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.63
Rot. Bonds5

About N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide

N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 53075839) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID53075839
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1
InChIInChI=1S/C19H18FN3O3S/c1-12-19(13(2)23(21-12)18-9-7-16(20)8-10-18)27(25,26)22-17-6-4-5-15(11-17)14(3)24/h4-11,22H,1-3H3
InChIKeyZHZQKWQYVJRERS-UHFFFAOYSA-N
XLogP3.63
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53075881
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
CID 3836983
N-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53076151
N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53075803
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234
1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonic acid
CID 87530789
N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773571
N-(3-acetylphenyl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53076000
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774681
N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822254
1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 53075852

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide (CID 53075839) is N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is ZHZQKWQYVJRERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-12-19(13(2)23(21-12)18-9-7-16(20)8-10-18)27(25,26)22-17-6-4-5-15(11-17)14(3)24/h4-11,22H,1-3H3.
What are the key properties of N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide?
N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 387.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 53075839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).