4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine

C25H27NO5S2 — CID 90592085

IUPAC4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccc(-c4ccc(C)cc4)cc3)CC2)cc1
InChIInChI=1S/C25H27NO5S2/c1-19-3-5-20(6-4-19)21-7-11-25(12-8-21)33(29,30)26-17-15-24(16-18-26)32(27,28)23-13-9-22(31-2)10-14-23/h3-14,24H,15-18H2,1-2H3
InChIKeyWEOGERGUNCQHON-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.30
Rot. Bonds6

About 4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine

4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine (PubChem CID 90592085) has the molecular formula C25H27NO5S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
PubChem CID90592085
Molecular FormulaC25H27NO5S2
Molecular Weight485.63 g/mol
Exact Mass485.13
IUPAC Name4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccc(-c4ccc(C)cc4)cc3)CC2)cc1
InChIInChI=1S/C25H27NO5S2/c1-19-3-5-20(6-4-19)21-7-11-25(12-8-21)33(29,30)26-17-15-24(16-18-26)32(27,28)23-13-9-22(31-2)10-14-23/h3-14,24H,15-18H2,1-2H3
InChIKeyWEOGERGUNCQHON-UHFFFAOYSA-N
XLogP4.30
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine
CID 90592057
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592043
4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 71809049
4-[2-(4-methoxyphenyl)ethynyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 162402019
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308435
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine
CID 121165211
1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593700
1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592472

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine (CID 90592085) is 4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine is COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccc(-c4ccc(C)cc4)cc3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine?
The InChIKey is WEOGERGUNCQHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5S2/c1-19-3-5-20(6-4-19)21-7-11-25(12-8-21)33(29,30)26-17-15-24(16-18-26)32(27,28)23-13-9-22(31-2)10-14-23/h3-14,24H,15-18H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine?
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine has a molecular weight of 485.63 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 90592085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).