3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide

C20H26N2O5S — CID 90595972

IUPAC3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCC(OC)CC3)cc2)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-25-17-10-12-22(13-11-17)16-6-4-15(5-7-16)21-28(23,24)18-8-9-19(26-2)20(14-18)27-3/h4-9,14,17,21H,10-13H2,1-3H3
InChIKeyQQEJLYFYEDNKQK-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.12
Rot. Bonds7

About 3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide

3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 90595972) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
PubChem CID90595972
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCC(OC)CC3)cc2)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-25-17-10-12-22(13-11-17)16-6-4-15(5-7-16)21-28(23,24)18-8-9-19(26-2)20(14-18)27-3/h4-9,14,17,21H,10-13H2,1-3H3
InChIKeyQQEJLYFYEDNKQK-UHFFFAOYSA-N
XLogP3.12
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide
CID 90595968
4-ethoxy-3-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 71809628
2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595596
3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 100520095
3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684542
2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide
CID 39324008
4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595634
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 100508329
2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 100513018
3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595569
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide (CID 90595972) is 3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(N3CCC(OC)CC3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is QQEJLYFYEDNKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-25-17-10-12-22(13-11-17)16-6-4-15(5-7-16)21-28(23,24)18-8-9-19(26-2)20(14-18)27-3/h4-9,14,17,21H,10-13H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide?
3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 90595972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).