N-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide

C16H26N2O3S — CID 28719184

IUPACN-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-21-12-2-9-18-22(19,20)16-5-3-14(4-6-16)13-15-7-10-17-11-8-15/h3-6,15,17-18H,2,7-13H2,1H3
InChIKeyANDYBFMMVGNNHS-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.54
Rot. Bonds8

About N-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide

N-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide (PubChem CID 28719184) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide
PubChem CID28719184
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-21-12-2-9-18-22(19,20)16-5-3-14(4-6-16)13-15-7-10-17-11-8-15/h3-6,15,17-18H,2,7-13H2,1H3
InChIKeyANDYBFMMVGNNHS-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride
CID 22676590
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119296317
4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 82165049
4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
CID 119387792
4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966559
N-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline
CID 139989154
N-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline;dihydrochloride
CID 139989153
N-[3-(2-methoxyethoxy)propyl]-4-methylsulfonylbenzenesulfonamide
CID 55559817
N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106092787
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide (CID 28719184) is N-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide is COCCCNS(=O)(=O)c1ccc(CC2CCNCC2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide?
The InChIKey is ANDYBFMMVGNNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-21-12-2-9-18-22(19,20)16-5-3-14(4-6-16)13-15-7-10-17-11-8-15/h3-6,15,17-18H,2,7-13H2,1H3.
What are the key properties of N-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide?
N-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 28719184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).