4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide

C15H24N2O4S — CID 120726698

IUPAC4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C15H24N2O4S/c1-12-15(4-3-9-16-12)17-22(18,19)14-7-5-13(6-8-14)21-11-10-20-2/h5-8,12,15-17H,3-4,9-11H2,1-2H3
InChIKeyYPXDBOVQBOBIPS-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.13
Rot. Bonds7

About 4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide

4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 120726698) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID120726698
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C15H24N2O4S/c1-12-15(4-3-9-16-12)17-22(18,19)14-7-5-13(6-8-14)21-11-10-20-2/h5-8,12,15-17H,3-4,9-11H2,1-2H3
InChIKeyYPXDBOVQBOBIPS-UHFFFAOYSA-N
XLogP1.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide
CID 63321022
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
4-(3-methoxypropoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 120575755
N,N-dimethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]benzamide
CID 120726525
4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726766
4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574271
N-(2-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 120726763
4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545150
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
CID 120575876
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide (CID 120726698) is 4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NC2CCCNC2C)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is YPXDBOVQBOBIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-12-15(4-3-9-16-12)17-22(18,19)14-7-5-13(6-8-14)21-11-10-20-2/h5-8,12,15-17H,3-4,9-11H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 120726698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).