1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine

C23H30N2O6S2 — CID 1332103

IUPAC1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O6S2/c1-30-19-8-10-20(11-9-19)31-22-13-12-21(32(26,27)24-14-4-2-5-15-24)18-23(22)33(28,29)25-16-6-3-7-17-25/h8-13,18H,2-7,14-17H2,1H3
InChIKeyHSEBOEVHMWZIFI-UHFFFAOYSA-N
MW494.64 g/mol
LogP3.84
Rot. Bonds7

About 1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine

1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine (PubChem CID 1332103) has the molecular formula C23H30N2O6S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine
PubChem CID1332103
Molecular FormulaC23H30N2O6S2
Molecular Weight494.64 g/mol
Exact Mass494.15
IUPAC Name1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O6S2/c1-30-19-8-10-20(11-9-19)31-22-13-12-21(32(26,27)24-14-4-2-5-15-24)18-23(22)33(28,29)25-16-6-3-7-17-25/h8-13,18H,2-7,14-17H2,1H3
InChIKeyHSEBOEVHMWZIFI-UHFFFAOYSA-N
XLogP3.84
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-Bis[(4-methoxyphenyl)sulfonyl]piperazine
CID 1104493
1-(Benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine
CID 23607722
4-{4-[4-(Morpholine-4-sulfonyl)phenoxy]benzenesulfonyl}morpholine
CID 1077177
4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide
CID 1099239
1-(2,4-Dimethoxy-5-piperidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1506525
4,4'-{[4-(2-Methoxyphenoxy)-1,3-phenylene]disulfonyl}dimorpholine
CID 2174083
1-(4-Methoxybenzenesulfonyl)-4-(4-methoxyphenoxy)piperidine
CID 16014129
1-[4-Methoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]sulfonyl-4-methylpiperazine
CID 164613467
1-[4-Ethoxy-3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]sulfonyl-4-propan-2-ylpiperazine
CID 164619821
1-(4-Butoxyphenyl)sulfonylpiperidine
CID 2054877
1-(2,5-Diethoxyphenyl)sulfonylpiperidine
CID 647069
1-[(2,5-Diethoxyphenyl)sulfonyl]-2-methylpiperidine
CID 652255

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine?
The IUPAC name of 1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine (CID 1332103) is 1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine.
What is the SMILES notation for 1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine?
The canonical SMILES for 1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine is COc1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine?
The InChIKey is HSEBOEVHMWZIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S2/c1-30-19-8-10-20(11-9-19)31-22-13-12-21(32(26,27)24-14-4-2-5-15-24)18-23(22)33(28,29)25-16-6-3-7-17-25/h8-13,18H,2-7,14-17H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine?
1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine has a molecular weight of 494.64 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenoxy)-3-piperidin-1-ylsulfonylphenyl]sulfonylpiperidine is sourced from PubChem (CID 1332103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).