4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide

C20H26N2O4S — CID 120720556

IUPAC4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)NCC3(C)CCNCC3)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-20(11-13-21-14-12-20)15-22-27(23,24)19-9-7-18(8-10-19)26-17-5-3-16(25-2)4-6-17/h3-10,21-22H,11-15H2,1-2H3
InChIKeyUTVHBNOHEVMKKF-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.16
Rot. Bonds7

About 4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide

4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 120720556) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID120720556
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)NCC3(C)CCNCC3)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-20(11-13-21-14-12-20)15-22-27(23,24)19-9-7-18(8-10-19)26-17-5-3-16(25-2)4-6-17/h3-10,21-22H,11-15H2,1-2H3
InChIKeyUTVHBNOHEVMKKF-UHFFFAOYSA-N
XLogP3.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120720120
4-(4-methoxyphenoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 120721832
N-[(4-methylpiperidin-4-yl)methyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120720448
4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964872
2-methoxy-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]benzamide;hydrochloride
CID 120720413
1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312097
4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974273
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626
N-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 103969990
N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720360
N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120720227

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide (CID 120720556) is 4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide is COc1ccc(Oc2ccc(S(=O)(=O)NCC3(C)CCNCC3)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is UTVHBNOHEVMKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-20(11-13-21-14-12-20)15-22-27(23,24)19-9-7-18(8-10-19)26-17-5-3-16(25-2)4-6-17/h3-10,21-22H,11-15H2,1-2H3.
What are the key properties of 4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide?
4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 120720556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).