1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine

C21H27NO6S2 — CID 90592043

IUPAC1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
SMILESCCOc1ccc(C)cc1S(=O)(=O)N1CCC(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H27NO6S2/c1-4-28-20-10-5-16(2)15-21(20)30(25,26)22-13-11-19(12-14-22)29(23,24)18-8-6-17(27-3)7-9-18/h5-10,15,19H,4,11-14H2,1-3H3
InChIKeyWNYTVCOXTDOVGH-UHFFFAOYSA-N
MW453.58 g/mol
LogP3.03
Rot. Bonds7

About 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine

1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine (PubChem CID 90592043) has the molecular formula C21H27NO6S2 and a molecular weight of 453.58 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
PubChem CID90592043
Molecular FormulaC21H27NO6S2
Molecular Weight453.58 g/mol
Exact Mass453.13
IUPAC Name1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
SMILESCCOc1ccc(C)cc1S(=O)(=O)N1CCC(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H27NO6S2/c1-4-28-20-10-5-16(2)15-21(20)30(25,26)22-13-11-19(12-14-22)29(23,24)18-8-6-17(27-3)7-9-18/h5-10,15,19H,4,11-14H2,1-3H3
InChIKeyWNYTVCOXTDOVGH-UHFFFAOYSA-N
XLogP3.03
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
CID 47000966
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 90589883
4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90589892
4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine
CID 90592057
4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine
CID 90592067
4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 71809049
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
3-(benzenesulfonyl)-1-(2-ethoxyphenyl)sulfonylpyrrolidine
CID 71805611
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592088
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine
CID 90587901

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine (CID 90592043) is 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine is CCOc1ccc(C)cc1S(=O)(=O)N1CCC(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine?
The InChIKey is WNYTVCOXTDOVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6S2/c1-4-28-20-10-5-16(2)15-21(20)30(25,26)22-13-11-19(12-14-22)29(23,24)18-8-6-17(27-3)7-9-18/h5-10,15,19H,4,11-14H2,1-3H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine?
1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine has a molecular weight of 453.58 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 90592043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).