3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide

C16H24N2O3S — CID 119994136

IUPAC3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C16H24N2O3S/c1-3-11-18(15-7-9-17-10-8-15)22(20,21)16-6-4-5-14(12-16)13(2)19/h4-6,12,15,17H,3,7-11H2,1-2H3
InChIKeyFKONVXUIKDXCNW-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.04
Rot. Bonds6

About 3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide

3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide (PubChem CID 119994136) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
PubChem CID119994136
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C16H24N2O3S/c1-3-11-18(15-7-9-17-10-8-15)22(20,21)16-6-4-5-14(12-16)13(2)19/h4-6,12,15,17H,3,7-11H2,1-2H3
InChIKeyFKONVXUIKDXCNW-UHFFFAOYSA-N
XLogP2.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-acetylphenyl)sulfonyl-cyclopropylamino]propanoic acid
CID 60718163
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide
CID 119993892
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119993891
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide
CID 119976410
3-acetyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)benzenesulfonamide
CID 90607213
N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119994184
3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61384835
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide
CID 119994113
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The IUPAC name of 3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide (CID 119994136) is 3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide is CCCN(C1CCNCC1)S(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The InChIKey is FKONVXUIKDXCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-11-18(15-7-9-17-10-8-15)22(20,21)16-6-4-5-14(12-16)13(2)19/h4-6,12,15,17H,3,7-11H2,1-2H3.
What are the key properties of 3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide?
3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 119994136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).