3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide

C16H26N2O5S — CID 120896903

IUPAC3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOCC1(CNS(=O)(=O)c2ccc(OC)c(OC)c2)CCNCC1
InChIInChI=1S/C16H26N2O5S/c1-21-12-16(6-8-17-9-7-16)11-18-24(19,20)13-4-5-14(22-2)15(10-13)23-3/h4-5,10,17-18H,6-9,11-12H2,1-3H3
InChIKeyLDEWHZJQDNMDEB-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.00
Rot. Bonds8

About 3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide

3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 120896903) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID120896903
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOCC1(CNS(=O)(=O)c2ccc(OC)c(OC)c2)CCNCC1
InChIInChI=1S/C16H26N2O5S/c1-21-12-16(6-8-17-9-7-16)11-18-24(19,20)13-4-5-14(22-2)15(10-13)23-3/h4-5,10,17-18H,6-9,11-12H2,1-3H3
InChIKeyLDEWHZJQDNMDEB-UHFFFAOYSA-N
XLogP1.00
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzenesulfonamide
CID 120896521
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzenesulfonamide;hydrochloride
CID 120896890
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 120896939
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896450
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide
CID 120896043
N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide
CID 120896353
N-[4-methoxy-3-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120896690
4-cyano-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120896081

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 120896903) is 3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide is COCC1(CNS(=O)(=O)c2ccc(OC)c(OC)c2)CCNCC1.
What is the InChIKey of 3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is LDEWHZJQDNMDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-21-12-16(6-8-17-9-7-16)11-18-24(19,20)13-4-5-14(22-2)15(10-13)23-3/h4-5,10,17-18H,6-9,11-12H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide?
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 120896903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).