3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide

C17H28N2O4S — CID 8844162

IUPAC3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1OC
InChIInChI=1S/C17H28N2O4S/c1-14-7-11-19(12-8-14)10-4-9-18-24(20,21)15-5-6-16(22-2)17(13-15)23-3/h5-6,13-14,18H,4,7-12H2,1-3H3
InChIKeyXFSQGWSMOSOEGL-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.10
Rot. Bonds8

About 3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide

3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide (PubChem CID 8844162) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
PubChem CID8844162
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1OC
InChIInChI=1S/C17H28N2O4S/c1-14-7-11-19(12-8-14)10-4-9-18-24(20,21)15-5-6-16(22-2)17(13-15)23-3/h5-6,13-14,18H,4,7-12H2,1-3H3
InChIKeyXFSQGWSMOSOEGL-UHFFFAOYSA-N
XLogP2.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 17461365
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethoxybenzenesulfonamide
CID 42388939
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321
4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844122
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629431
3,4-dimethoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719319
N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide
CID 94141161
3,4,5-trimethoxy-N-[3-[4-[3-[(3,4,5-trimethoxyphenyl)sulfonylamino]propyl]-1,4-diazepan-1-yl]propyl]benzenesulfonamide
CID 15728778
2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide
CID 99971694
4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 103697368
1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853225

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide (CID 8844162) is 3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is XFSQGWSMOSOEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-14-7-11-19(12-8-14)10-4-9-18-24(20,21)15-5-6-16(22-2)17(13-15)23-3/h5-6,13-14,18H,4,7-12H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 356.49 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 8844162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).