N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide

C14H20N2O3S — CID 47114532

IUPACN-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C14H20N2O3S/c1-11-4-3-5-14(10-11)20(18,19)15-13-6-8-16(9-7-13)12(2)17/h3-5,10,13,15H,6-9H2,1-2H3
InChIKeyIZKLTFNYWDIFTM-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.28
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide

N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide (PubChem CID 47114532) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide
PubChem CID47114532
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C14H20N2O3S/c1-11-4-3-5-14(10-11)20(18,19)15-13-6-8-16(9-7-13)12(2)17/h3-5,10,13,15H,6-9H2,1-2H3
InChIKeyIZKLTFNYWDIFTM-UHFFFAOYSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808567
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide
CID 55482564
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 48946307
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfamoyl]benzoic acid
CID 53255861
2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108566045
N-(1-acetylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110715026
N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide
CID 39966135
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790604

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide (CID 47114532) is N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide is CC(=O)N1CCC(NS(=O)(=O)c2cccc(C)c2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide?
The InChIKey is IZKLTFNYWDIFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-4-3-5-14(10-11)20(18,19)15-13-6-8-16(9-7-13)12(2)17/h3-5,10,13,15H,6-9H2,1-2H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide?
N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 47114532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).