N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide

C21H26FN3O3S — CID 67420672

IUPACN-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)C(NC(=O)c1ccccc1F)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C21H26FN3O3S/c1-25(2)29(27,28)20(24-19(26)17-10-6-7-11-18(17)22)21(12-14-23-15-13-21)16-8-4-3-5-9-16/h3-11,20,23H,12-15H2,1-2H3,(H,24,26)
InChIKeyMXAJEASVLOEXNQ-UHFFFAOYSA-N
MW419.52 g/mol
LogP2.09
Rot. Bonds6

About N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide

N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide (PubChem CID 67420672) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide
PubChem CID67420672
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC NameN-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)C(NC(=O)c1ccccc1F)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C21H26FN3O3S/c1-25(2)29(27,28)20(24-19(26)17-10-6-7-11-18(17)22)21(12-14-23-15-13-21)16-8-4-3-5-9-16/h3-11,20,23H,12-15H2,1-2H3,(H,24,26)
InChIKeyMXAJEASVLOEXNQ-UHFFFAOYSA-N
XLogP2.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 67428801
N-[[4-(cyclohexen-1-yl)piperidin-4-yl]-(dimethylsulfamoyl)methyl]-2-(trifluoromethoxy)benzamide
CID 22240616
2-fluoro-N-(1-piperidin-4-ylethyl)benzamide
CID 43523234
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
(4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone
CID 116568013
2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide
CID 119386986
N-[2-phenyl-1-(4-phenylpiperidin-4-yl)ethyl]benzamide
CID 22240544
N-(1,1-diphenylpropan-2-yl)-2-fluorobenzamide
CID 46432015
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide
CID 67420764
N-[(4-fluorophenyl)sulfonyl-(4-phenylpiperidin-4-yl)methyl]isoquinolin-1-amine
CID 22241039
N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
CID 3713730

Frequently Asked Questions

What is the IUPAC name of N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide?
The IUPAC name of N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide (CID 67420672) is N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide is CN(C)S(=O)(=O)C(NC(=O)c1ccccc1F)C1(c2ccccc2)CCNCC1.
What is the InChIKey of N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide?
The InChIKey is MXAJEASVLOEXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-25(2)29(27,28)20(24-19(26)17-10-6-7-11-18(17)22)21(12-14-23-15-13-21)16-8-4-3-5-9-16/h3-11,20,23H,12-15H2,1-2H3,(H,24,26).
What are the key properties of N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide?
N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide has a molecular weight of 419.52 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 67420672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).