N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide

C16H24N2O3S — CID 110736222

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide
SMILESCC(=O)N1CCC(CNS(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C16H24N2O3S/c1-12-4-5-16(13(2)10-12)22(20,21)17-11-15-6-8-18(9-7-15)14(3)19/h4-5,10,15,17H,6-9,11H2,1-3H3
InChIKeyCHKDZKITZUGHKW-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.84
Rot. Bonds4

About N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide

N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 110736222) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide
PubChem CID110736222
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide
SMILESCC(=O)N1CCC(CNS(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C16H24N2O3S/c1-12-4-5-16(13(2)10-12)22(20,21)17-11-15-6-8-18(9-7-15)14(3)19/h4-5,10,15,17H,6-9,11H2,1-3H3
InChIKeyCHKDZKITZUGHKW-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110736227
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 53103758
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 16887727
2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995675
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566788
N-[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990508
N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113052189
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2,4-dimethylbenzenesulfonamide
CID 112994205

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide (CID 110736222) is N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide is CC(=O)N1CCC(CNS(=O)(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is CHKDZKITZUGHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-4-5-16(13(2)10-12)22(20,21)17-11-15-6-8-18(9-7-15)14(3)19/h4-5,10,15,17H,6-9,11H2,1-3H3.
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide?
N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.84, 4 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)methyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110736222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).