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

C15H25ClN2O4S — CID 120896450

IUPAC2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccccc2OC)CCNCC1.Cl
InChIInChI=1S/C15H24N2O4S.ClH/c1-20-12-15(7-9-16-10-8-15)11-17-22(18,19)14-6-4-3-5-13(14)21-2;/h3-6,16-17H,7-12H2,1-2H3;1H
InChIKeySYIJLWGPAONVCS-UHFFFAOYSA-N
MW364.90 g/mol
LogP1.41
Rot. Bonds7

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

2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride (PubChem CID 120896450) has the molecular formula C15H25ClN2O4S and a molecular weight of 364.90 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
PubChem CID120896450
Molecular FormulaC15H25ClN2O4S
Molecular Weight364.90 g/mol
Exact Mass364.12
IUPAC Name2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccccc2OC)CCNCC1.Cl
InChIInChI=1S/C15H24N2O4S.ClH/c1-20-12-15(7-9-16-10-8-15)11-17-22(18,19)14-6-4-3-5-13(14)21-2;/h3-6,16-17H,7-12H2,1-2H3;1H
InChIKeySYIJLWGPAONVCS-UHFFFAOYSA-N
XLogP1.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 120896514
2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120895991
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120896176
N-[4-methoxy-3-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120896690
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120896564
2-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzenesulfonamide
CID 120896633
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
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-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-nitrobenzenesulfonamide
CID 120896281
5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896300

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride (CID 120896450) is 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride is COCC1(CNS(=O)(=O)c2ccccc2OC)CCNCC1.Cl.
What is the InChIKey of 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
The InChIKey is SYIJLWGPAONVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S.ClH/c1-20-12-15(7-9-16-10-8-15)11-17-22(18,19)14-6-4-3-5-13(14)21-2;/h3-6,16-17H,7-12H2,1-2H3;1H.
What are the key properties of 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120896450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).