2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride

C17H29ClN2O4S — CID 120896430

IUPAC2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2c(C)cc(C)cc2OC)CCNCC1.Cl
InChIInChI=1S/C17H28N2O4S.ClH/c1-13-9-14(2)16(15(10-13)23-4)24(20,21)19-11-17(12-22-3)5-7-18-8-6-17;/h9-10,18-19H,5-8,11-12H2,1-4H3;1H
InChIKeyPEOIBUJOVZDTED-UHFFFAOYSA-N
MW392.95 g/mol
LogP2.03
Rot. Bonds7

About 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride

2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 120896430) has the molecular formula C17H29ClN2O4S and a molecular weight of 392.95 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride
PubChem CID120896430
Molecular FormulaC17H29ClN2O4S
Molecular Weight392.95 g/mol
Exact Mass392.15
IUPAC Name2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2c(C)cc(C)cc2OC)CCNCC1.Cl
InChIInChI=1S/C17H28N2O4S.ClH/c1-13-9-14(2)16(15(10-13)23-4)24(20,21)19-11-17(12-22-3)5-7-18-8-6-17;/h9-10,18-19H,5-8,11-12H2,1-4H3;1H
InChIKeyPEOIBUJOVZDTED-UHFFFAOYSA-N
XLogP2.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896450
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720191
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide
CID 120896693
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120896564
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
N-[4-methoxy-3-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120896690
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 120896458
2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120896104
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzenesulfonamide;hydrochloride
CID 120896890
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120896778

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride (CID 120896430) is 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride is COCC1(CNS(=O)(=O)c2c(C)cc(C)cc2OC)CCNCC1.Cl.
What is the InChIKey of 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is PEOIBUJOVZDTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S.ClH/c1-13-9-14(2)16(15(10-13)23-4)24(20,21)19-11-17(12-22-3)5-7-18-8-6-17;/h9-10,18-19H,5-8,11-12H2,1-4H3;1H.
What are the key properties of 2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride?
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 392.95 g/mol, XLogP of 2.03, 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]-4,6-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120896430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).