5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole

C21H24N2O4S — CID 25103659

IUPAC5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2cccc(OC3CCN(C)CC3)c2)c1
InChIInChI=1S/C21H24N2O4S/c1-22-11-9-17(10-12-22)27-19-4-3-5-20(15-19)28(24,25)23-13-8-16-14-18(26-2)6-7-21(16)23/h3-8,13-15,17H,9-12H2,1-2H3
InChIKeyHMEPPXYWYFGFDF-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.36
Rot. Bonds5

About 5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole

5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole (PubChem CID 25103659) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole.

Molecular Properties

Compound Name5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole
PubChem CID25103659
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2cccc(OC3CCN(C)CC3)c2)c1
InChIInChI=1S/C21H24N2O4S/c1-22-11-9-17(10-12-22)27-19-4-3-5-20(15-19)28(24,25)23-13-8-16-14-18(26-2)6-7-21(16)23/h3-8,13-15,17H,9-12H2,1-2H3
InChIKeyHMEPPXYWYFGFDF-UHFFFAOYSA-N
XLogP3.36
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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MS-245
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3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxy-1-(4-propan-2-ylphenyl)sulfonylindole
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3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonyl-5-methoxyindole
CID 56666540
1-(Benzenesulfonyl)-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
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CID 56670011

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole?
The IUPAC name of 5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole (CID 25103659) is 5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole.
What is the SMILES notation for 5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole?
The canonical SMILES for 5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole is COc1ccc2c(ccn2S(=O)(=O)c2cccc(OC3CCN(C)CC3)c2)c1.
What is the InChIKey of 5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole?
The InChIKey is HMEPPXYWYFGFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-22-11-9-17(10-12-22)27-19-4-3-5-20(15-19)28(24,25)23-13-8-16-14-18(26-2)6-7-21(16)23/h3-8,13-15,17H,9-12H2,1-2H3.
What are the key properties of 5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole?
5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole has a molecular weight of 400.50 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonylindole is sourced from PubChem (CID 25103659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).