4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C16H26N2O4S — CID 4691018

IUPAC4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O4S/c1-17-10-8-14(9-11-17)18(12-13-21-2)23(19,20)16-6-4-15(22-3)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyQNNBOWVSASATHL-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.43
Rot. Bonds7

About 4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide

4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 4691018) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID4691018
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O4S/c1-17-10-8-14(9-11-17)18(12-13-21-2)23(19,20)16-6-4-15(22-3)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyQNNBOWVSASATHL-UHFFFAOYSA-N
XLogP1.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 715058
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61451779
N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide
CID 102873415
N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971314
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 24730709
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 70785473
3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61109405
3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 63322186
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278727
2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 70733213
N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 55598179

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 4691018) is 4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide is COCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is QNNBOWVSASATHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-17-10-8-14(9-11-17)18(12-13-21-2)23(19,20)16-6-4-15(22-3)5-7-16/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 4691018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).