N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide

C15H22N2O3S — CID 18141492

IUPACN-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C15H22N2O3S/c1-11-4-5-15(10-12(11)2)21(19,20)16-14-6-8-17(9-7-14)13(3)18/h4-5,10,14,16H,6-9H2,1-3H3
InChIKeyUYXZXIORHLQHDC-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.59
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide

N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide (PubChem CID 18141492) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
PubChem CID18141492
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C15H22N2O3S/c1-11-4-5-15(10-12(11)2)21(19,20)16-14-6-8-17(9-7-14)13(3)18/h4-5,10,14,16H,6-9H2,1-3H3
InChIKeyUYXZXIORHLQHDC-UHFFFAOYSA-N
XLogP1.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 47114532
3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563684
4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 123780461
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide
CID 108564246
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712587
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
4-chloro-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565138
3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373442
tert-butyl (3R)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]pyrrolidine-1-carboxylate
CID 66560214
4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 34342091
N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 110871404

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide (CID 18141492) is N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide is CC(=O)N1CCC(NS(=O)(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is UYXZXIORHLQHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-4-5-15(10-12(11)2)21(19,20)16-14-6-8-17(9-7-14)13(3)18/h4-5,10,14,16H,6-9H2,1-3H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide?
N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.59, 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)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 18141492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).