4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine

C22H29NO6S2 — CID 90592057

IUPAC4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccc(OCC(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H29NO6S2/c1-17(2)16-29-19-6-10-22(11-7-19)31(26,27)23-14-12-21(13-15-23)30(24,25)20-8-4-18(28-3)5-9-20/h4-11,17,21H,12-16H2,1-3H3
InChIKeyBOPMTXGQVKSHAW-UHFFFAOYSA-N
MW467.61 g/mol
LogP3.36
Rot. Bonds8

About 4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine

4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine (PubChem CID 90592057) has the molecular formula C22H29NO6S2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine
PubChem CID90592057
Molecular FormulaC22H29NO6S2
Molecular Weight467.61 g/mol
Exact Mass467.14
IUPAC Name4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccc(OCC(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H29NO6S2/c1-17(2)16-29-19-6-10-22(11-7-19)31(26,27)23-14-12-21(13-15-23)30(24,25)20-8-4-18(28-3)5-9-20/h4-11,17,21H,12-16H2,1-3H3
InChIKeyBOPMTXGQVKSHAW-UHFFFAOYSA-N
XLogP3.36
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine
CID 87024962
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119978171
2-methylpropyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557075
4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine
CID 90592067
1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine
CID 43362237
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine
CID 115300371
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 133167682
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100654629
1-[2-(4-methoxyphenyl)ethylsulfonyl]-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592047
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592088
4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 71809049

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine (CID 90592057) is 4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine is COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccc(OCC(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine?
The InChIKey is BOPMTXGQVKSHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO6S2/c1-17(2)16-29-19-6-10-22(11-7-19)31(26,27)23-14-12-21(13-15-23)30(24,25)20-8-4-18(28-3)5-9-20/h4-11,17,21H,12-16H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine?
4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine has a molecular weight of 467.61 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine is sourced from PubChem (CID 90592057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).