4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C17H26N2O3S — CID 17425450

IUPAC4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(S(C)(=O)=O)cc2)CC(C)(C)N1
InChIInChI=1S/C17H26N2O3S/c1-16(2)10-13(11-17(3,4)19-16)18-15(20)12-6-8-14(9-7-12)23(5,21)22/h6-9,13,19H,10-11H2,1-5H3,(H,18,20)
InChIKeyDAIFCWQHYVVADW-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.13
Rot. Bonds3

About 4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 17425450) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID17425450
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(S(C)(=O)=O)cc2)CC(C)(C)N1
InChIInChI=1S/C17H26N2O3S/c1-16(2)10-13(11-17(3,4)19-16)18-15(20)12-6-8-14(9-7-12)23(5,21)22/h6-9,13,19H,10-11H2,1-5H3,(H,18,20)
InChIKeyDAIFCWQHYVVADW-UHFFFAOYSA-N
XLogP2.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 17498159
4-anilino-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679426
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
4-pyridin-4-yloxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679480
1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide
CID 142858822
N-(azepan-4-yl)-4-methylsulfonylbenzamide
CID 105059657
N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide
CID 580173
2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide
CID 17485264
4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 166622779
4-(4-methylhexa-2,4-dienoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123892076
2,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 166350427
N'-(4-sulfamoylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108508719

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 17425450) is 4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(S(C)(=O)=O)cc2)CC(C)(C)N1.
What is the InChIKey of 4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is DAIFCWQHYVVADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-16(2)10-13(11-17(3,4)19-16)18-15(20)12-6-8-14(9-7-12)23(5,21)22/h6-9,13,19H,10-11H2,1-5H3,(H,18,20).
What are the key properties of 4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 338.47 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 17425450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).