N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide

C17H16FN3O4S2 — CID 19886265

IUPACN-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN3O4S2/c1-26(22,23)15-9-3-12(4-10-15)16-11-17(20-27(2,24)25)19-21(16)14-7-5-13(18)6-8-14/h3-11H,1-2H3,(H,19,20)
InChIKeyGXYIPWUZFOGNCW-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.45
Rot. Bonds5

About N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide

N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide (PubChem CID 19886265) has the molecular formula C17H16FN3O4S2 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide
PubChem CID19886265
Molecular FormulaC17H16FN3O4S2
Molecular Weight409.46 g/mol
Exact Mass409.06
IUPAC NameN-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN3O4S2/c1-26(22,23)15-9-3-12(4-10-15)16-11-17(20-27(2,24)25)19-21(16)14-7-5-13(18)6-8-14/h3-11H,1-2H3,(H,19,20)
InChIKeyGXYIPWUZFOGNCW-UHFFFAOYSA-N
XLogP2.45
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Fluorophenyl)-1-(4-methylsulfonylphenyl)-3-trifluoromethyl-1H-pyrazole
CID 115239
4-[2-(4-Fluoro-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-benzenesulfonamide
CID 9800270
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-benzenesulfonamide
CID 10111849
4-[5-(4-Methylsulfanyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10273159
4-[5-(3-Methyl-4-methylsulfanyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10598578
4-Amino-N-[4-(5-amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-benzenesulfonamide
CID 12018680
Cox2-IN-1
CID 10042938
3-methyl-1-{4-[4-(propan-2-yl)benzenesulfonyl]phenyl}-1H-pyrazol-5-amine
CID 2411018
1-[4-(4-ethylbenzenesulfonyl)phenyl]-3-methyl-1H-pyrazol-5-amine
CID 2411008
N''-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenyl-3-pyrazolyl)benzenecarboximidamide
CID 6216001
3-Fluoro-4-[5-(4-methylsulfanyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10895294
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-4-fluoro-benzenesulfonamide
CID 44312955

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide (CID 19886265) is N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide?
The InChIKey is GXYIPWUZFOGNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4S2/c1-26(22,23)15-9-3-12(4-10-15)16-11-17(20-27(2,24)25)19-21(16)14-7-5-13(18)6-8-14/h3-11H,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide?
N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide has a molecular weight of 409.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanesulfonamide is sourced from PubChem (CID 19886265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).