4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide

C20H26N2O6S2 — CID 998278

IUPAC4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H26N2O6S2/c1-27-17-3-7-19(8-4-17)29(23,24)21-15-16-11-13-22(14-12-16)30(25,26)20-9-5-18(28-2)6-10-20/h3-10,16,21H,11-15H2,1-2H3
InChIKeyXIFIOPOCILLSDY-UHFFFAOYSA-N
MW454.57 g/mol
LogP2.08
Rot. Bonds8

About 4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide

4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 998278) has the molecular formula C20H26N2O6S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
PubChem CID998278
Molecular FormulaC20H26N2O6S2
Molecular Weight454.57 g/mol
Exact Mass454.12
IUPAC Name4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H26N2O6S2/c1-27-17-3-7-19(8-4-17)29(23,24)21-15-16-11-13-22(14-12-16)30(25,26)20-9-5-18(28-2)6-10-20/h3-10,16,21H,11-15H2,1-2H3
InChIKeyXIFIOPOCILLSDY-UHFFFAOYSA-N
XLogP2.08
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-((4-Methoxyphenyl)sulfonyl)piperazine
CID 797560
1,4-Bis[(4-methoxyphenyl)sulfonyl]piperazine
CID 1104493
2-[(cyclohexylmethyl)(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10618255
Dasa-23
CID 25243725
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 580300
1-(4-Methoxy-benzenesulfonyl)-2-methyl-piperidine
CID 2843045
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 715058
N-{[1-(cyclopentylcarbonyl)piperidin-3-yl]methyl}-4-methoxybenzenesulfonamide
CID 16189375
4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
1-((p-Methoxyphenyl)sulfonyl)piperidine
CID 247209
1-(4-Methoxy-benzenesulfonyl)-piperidine-3-carboxylic acid cyclohexylamide
CID 645701
N-(4-Methoxy-benzyl)-4-(piperidine-1-sulfonyl)-benzenesulfonamide
CID 654019

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide (CID 998278) is 4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is XIFIOPOCILLSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S2/c1-27-17-3-7-19(8-4-17)29(23,24)21-15-16-11-13-22(14-12-16)30(25,26)20-9-5-18(28-2)6-10-20/h3-10,16,21H,11-15H2,1-2H3.
What are the key properties of 4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide?
4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 454.57 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 998278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).