3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

C24H28N4O3S — CID 46424040

IUPAC3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cn4cccn4)c3)c2)C1
InChIInChI=1S/C24H28N4O3S/c1-18-12-19(2)16-28(15-18)32(30,31)23-9-4-7-21(14-23)24(29)26-22-8-3-6-20(13-22)17-27-11-5-10-25-27/h3-11,13-14,18-19H,12,15-17H2,1-2H3,(H,26,29)
InChIKeyIOKAKNWQTSDCGA-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.85
Rot. Bonds6

About 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 46424040) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID46424040
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cn4cccn4)c3)c2)C1
InChIInChI=1S/C24H28N4O3S/c1-18-12-19(2)16-28(15-18)32(30,31)23-9-4-7-21(14-23)24(29)26-22-8-3-6-20(13-22)17-27-11-5-10-25-27/h3-11,13-14,18-19H,12,15-17H2,1-2H3,(H,26,29)
InChIKeyIOKAKNWQTSDCGA-UHFFFAOYSA-N
XLogP3.85
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55766235
3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46423962
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300374
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 51194004
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide
CID 55347661
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55811955
N-(4-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46797436
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 35762825
4-fluoro-N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46424018
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]benzamide
CID 46644357
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085984
2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46547891

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 46424040) is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide is CC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cn4cccn4)c3)c2)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is IOKAKNWQTSDCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-18-12-19(2)16-28(15-18)32(30,31)23-9-4-7-21(14-23)24(29)26-22-8-3-6-20(13-22)17-27-11-5-10-25-27/h3-11,13-14,18-19H,12,15-17H2,1-2H3,(H,26,29).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 452.58 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 46424040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).