4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride

C18H31ClN2O5S — CID 120896478

IUPAC4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
SMILESCCOCCOc1ccc(S(=O)(=O)NCC2(COC)CCNCC2)cc1.Cl
InChIInChI=1S/C18H30N2O5S.ClH/c1-3-24-12-13-25-16-4-6-17(7-5-16)26(21,22)20-14-18(15-23-2)8-10-19-11-9-18;/h4-7,19-20H,3,8-15H2,1-2H3;1H
InChIKeyWHCQRNOUPNDBLU-UHFFFAOYSA-N
MW422.98 g/mol
LogP1.82
Rot. Bonds11

About 4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride

4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride (PubChem CID 120896478) has the molecular formula C18H31ClN2O5S and a molecular weight of 422.98 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
PubChem CID120896478
Molecular FormulaC18H31ClN2O5S
Molecular Weight422.98 g/mol
Exact Mass422.16
IUPAC Name4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
SMILESCCOCCOc1ccc(S(=O)(=O)NCC2(COC)CCNCC2)cc1.Cl
InChIInChI=1S/C18H30N2O5S.ClH/c1-3-24-12-13-25-16-4-6-17(7-5-16)26(21,22)20-14-18(15-23-2)8-10-19-11-9-18;/h4-7,19-20H,3,8-15H2,1-2H3;1H
InChIKeyWHCQRNOUPNDBLU-UHFFFAOYSA-N
XLogP1.82
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride
CID 120896824
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]-N-methylacetamide;hydrochloride
CID 120896852
2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896019
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide
CID 120896693
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 120896939
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzenesulfonamide;hydrochloride
CID 120896890
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 120896574

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride (CID 120896478) is 4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride is CCOCCOc1ccc(S(=O)(=O)NCC2(COC)CCNCC2)cc1.Cl.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
The InChIKey is WHCQRNOUPNDBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O5S.ClH/c1-3-24-12-13-25-16-4-6-17(7-5-16)26(21,22)20-14-18(15-23-2)8-10-19-11-9-18;/h4-7,19-20H,3,8-15H2,1-2H3;1H.
What are the key properties of 4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride has a molecular weight of 422.98 g/mol, XLogP of 1.82, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120896478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).