3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide

C23H26N4O3S — CID 55766235

IUPAC3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(-n4cccn4)c3)c2)C1
InChIInChI=1S/C23H26N4O3S/c1-17-12-18(2)16-26(15-17)31(29,30)22-9-3-6-19(13-22)23(28)25-20-7-4-8-21(14-20)27-11-5-10-24-27/h3-11,13-14,17-18H,12,15-16H2,1-2H3,(H,25,28)
InChIKeyVMPUGADVQASNDW-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.79
Rot. Bonds5

About 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide (PubChem CID 55766235) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide
PubChem CID55766235
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(-n4cccn4)c3)c2)C1
InChIInChI=1S/C23H26N4O3S/c1-17-12-18(2)16-26(15-17)31(29,30)22-9-3-6-19(13-22)23(28)25-20-7-4-8-21(14-20)27-11-5-10-24-27/h3-11,13-14,17-18H,12,15-16H2,1-2H3,(H,25,28)
InChIKeyVMPUGADVQASNDW-UHFFFAOYSA-N
XLogP3.79
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55811955
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46424040
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
N-(4-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46797436
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085984
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960227
N-[4-(difluoromethoxy)phenyl]-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 26524631
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960229
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2347527
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713920

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide (CID 55766235) is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide is CC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(-n4cccn4)c3)c2)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide?
The InChIKey is VMPUGADVQASNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-17-12-18(2)16-26(15-17)31(29,30)22-9-3-6-19(13-22)23(28)25-20-7-4-8-21(14-20)27-11-5-10-24-27/h3-11,13-14,17-18H,12,15-16H2,1-2H3,(H,25,28).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide?
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide has a molecular weight of 438.55 g/mol, XLogP of 3.79, 5 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-ylphenyl)benzamide is sourced from PubChem (CID 55766235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).