3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide

C21H26FN3O3S — CID 55960567

IUPAC3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H26FN3O3S/c1-24(2)29(27,28)20-5-3-4-17(14-20)21(26)23-19-10-12-25(13-11-19)15-16-6-8-18(22)9-7-16/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyXMWLKHGIUYFRLL-UHFFFAOYSA-N
MW419.52 g/mol
LogP2.47
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide

3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 55960567) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
PubChem CID55960567
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC Name3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H26FN3O3S/c1-24(2)29(27,28)20-5-3-4-17(14-20)21(26)23-19-10-12-25(13-11-19)15-16-6-8-18(22)9-7-16/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyXMWLKHGIUYFRLL-UHFFFAOYSA-N
XLogP2.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960952
3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide
CID 9264466
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
4-(dimethylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946515
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide
CID 9293100
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55961219
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858730
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide
CID 32507574

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide (CID 55960567) is 3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is XMWLKHGIUYFRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-24(2)29(27,28)20-5-3-4-17(14-20)21(26)23-19-10-12-25(13-11-19)15-16-6-8-18(22)9-7-16/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of 3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 419.52 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55960567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).