N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide

C22H26FN3O4S2 — CID 55986241

IUPACN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H26FN3O4S2/c1-26(32(29,30)21-12-10-20(11-13-21)31(2,27)28)14-5-3-4-9-19-16-22(25-24-19)17-7-6-8-18(23)15-17/h6-8,10-13,15-16H,3-5,9,14H2,1-2H3,(H,24,25)
InChIKeyNPJYEWNMPMFRFB-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.65
Rot. Bonds10

About N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide (PubChem CID 55986241) has the molecular formula C22H26FN3O4S2 and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
PubChem CID55986241
Molecular FormulaC22H26FN3O4S2
Molecular Weight479.60 g/mol
Exact Mass479.13
IUPAC NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H26FN3O4S2/c1-26(32(29,30)21-12-10-20(11-13-21)31(2,27)28)14-5-3-4-9-19-16-22(25-24-19)17-7-6-8-18(23)15-17/h6-8,10-13,15-16H,3-5,9,14H2,1-2H3,(H,24,25)
InChIKeyNPJYEWNMPMFRFB-UHFFFAOYSA-N
XLogP3.65
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-methylsulfonylbenzenesulfonamide
CID 55914160
2-fluoro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,5-dimethylbenzenesulfonamide
CID 55913693
N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
CID 47065270
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(methylsulfamoyl)benzamide
CID 55975551
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 55953983
4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55953724
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55976570
2-(4-aminophenyl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 119746046
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 55975546
1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide
CID 56587065
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
CID 55978255
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpiperidine-3-carboxamide
CID 119301819

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide (CID 55986241) is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide is CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide?
The InChIKey is NPJYEWNMPMFRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4S2/c1-26(32(29,30)21-12-10-20(11-13-21)31(2,27)28)14-5-3-4-9-19-16-22(25-24-19)17-7-6-8-18(23)15-17/h6-8,10-13,15-16H,3-5,9,14H2,1-2H3,(H,24,25).
What are the key properties of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide?
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide has a molecular weight of 479.60 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 55986241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).