N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

C17H16FN3O2S — CID 22773337

IUPACN-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2S/c1-12-17(13(2)21(19-12)16-6-4-3-5-7-16)24(22,23)20-15-10-8-14(18)9-11-15/h3-11,20H,1-2H3
InChIKeyBVXUYTLUPJZDIY-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.43
Rot. Bonds4

About N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 22773337) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID22773337
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2S/c1-12-17(13(2)21(19-12)16-6-4-3-5-7-16)24(22,23)20-15-10-8-14(18)9-11-15/h3-11,20H,1-2H3
InChIKeyBVXUYTLUPJZDIY-UHFFFAOYSA-N
XLogP3.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide
CID 22203263
N-[4-(dimethylamino)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774990
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650
N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773571
N-(3-bromophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53075881
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774681
N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53075803
N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53075839
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775217
N-(1,3-benzodioxol-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774079
3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide
CID 19683694
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773621

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 22773337) is N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is BVXUYTLUPJZDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-12-17(13(2)21(19-12)16-6-4-3-5-7-16)24(22,23)20-15-10-8-14(18)9-11-15/h3-11,20H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 345.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22773337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).