N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide

C14H22N2O3S — CID 63637635

IUPACN-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCCNC1)S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C14H22N2O3S/c1-3-16(12-7-6-10-15-11-12)20(17,18)14-9-5-4-8-13(14)19-2/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3
InChIKeyOQRQTLWDEFGKDM-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.46
Rot. Bonds5

About N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide

N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 63637635) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
PubChem CID63637635
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCCNC1)S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C14H22N2O3S/c1-3-16(12-7-6-10-15-11-12)20(17,18)14-9-5-4-8-13(14)19-2/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3
InChIKeyOQRQTLWDEFGKDM-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 60805705
N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 60807373
2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205910
4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide
CID 63636247
N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 66181481
N-ethyl-N-piperidin-3-ylmethanesulfonamide
CID 60806038
N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine
CID 63636927
5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide
CID 897007
3-[tert-butylsulfamoyl(ethyl)amino]piperidine
CID 114805078
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 71889824
5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301153
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide (CID 63637635) is N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide is CCN(C1CCCNC1)S(=O)(=O)c1ccccc1OC.
What is the InChIKey of N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is OQRQTLWDEFGKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-16(12-7-6-10-15-11-12)20(17,18)14-9-5-4-8-13(14)19-2/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide?
N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63637635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).