3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide

C24H29FN4O3S — CID 55863145

IUPAC3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
SMILESCN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C24H29FN4O3S/c1-28(2)33(31,32)22-10-7-8-19(16-22)24(30)29(3)15-6-4-5-9-21-17-23(27-26-21)18-11-13-20(25)14-12-18/h7-8,10-14,16-17H,4-6,9,15H2,1-3H3,(H,26,27)
InChIKeyQZOVTMUFVMGOOF-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.95
Rot. Bonds10

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

3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide (PubChem CID 55863145) has the molecular formula C24H29FN4O3S and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
PubChem CID55863145
Molecular FormulaC24H29FN4O3S
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC Name3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
SMILESCN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C24H29FN4O3S/c1-28(2)33(31,32)22-10-7-8-19(16-22)24(30)29(3)15-6-4-5-9-21-17-23(27-26-21)18-11-13-20(25)14-12-18/h7-8,10-14,16-17H,4-6,9,15H2,1-3H3,(H,26,27)
InChIKeyQZOVTMUFVMGOOF-UHFFFAOYSA-N
XLogP3.95
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 60525442
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(methylsulfamoyl)benzamide
CID 55975551
4-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-nitrobenzamide
CID 52692671
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55977344
4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55953724
3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55814945
2-chloro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylquinoline-6-carboxamide
CID 55858078
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-methylsulfonylbenzenesulfonamide
CID 55914160
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(propanoylamino)benzamide
CID 55976193
4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
CID 119737086
1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide
CID 52692656
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 55953983

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide (CID 55863145) is 3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide is CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide?
The InChIKey is QZOVTMUFVMGOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3S/c1-28(2)33(31,32)22-10-7-8-19(16-22)24(30)29(3)15-6-4-5-9-21-17-23(27-26-21)18-11-13-20(25)14-12-18/h7-8,10-14,16-17H,4-6,9,15H2,1-3H3,(H,26,27).
What are the key properties of 3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide?
3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide has a molecular weight of 472.59 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide is sourced from PubChem (CID 55863145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).