2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole

C22H26N2O3S — CID 113088941

IUPAC2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole
SMILESCCc1ccc(S(=O)(=O)N2CCCC(c3cc4cc(OC)ccc4[nH]3)C2)cc1
InChIInChI=1S/C22H26N2O3S/c1-3-16-6-9-20(10-7-16)28(25,26)24-12-4-5-17(15-24)22-14-18-13-19(27-2)8-11-21(18)23-22/h6-11,13-14,17,23H,3-5,12,15H2,1-2H3
InChIKeyNVRPSKMLFVODNX-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.31
Rot. Bonds5

About 2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole

2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole (PubChem CID 113088941) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole
PubChem CID113088941
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole
SMILESCCc1ccc(S(=O)(=O)N2CCCC(c3cc4cc(OC)ccc4[nH]3)C2)cc1
InChIInChI=1S/C22H26N2O3S/c1-3-16-6-9-20(10-7-16)28(25,26)24-12-4-5-17(15-24)22-14-18-13-19(27-2)8-11-21(18)23-22/h6-11,13-14,17,23H,3-5,12,15H2,1-2H3
InChIKeyNVRPSKMLFVODNX-UHFFFAOYSA-N
XLogP4.31
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole
CID 113088701
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088702
2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole
CID 113088700
2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605
2-cyclobutyl-5-methoxy-1H-indole
CID 84670139
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113088284
N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 51728621
5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
CID 113088695
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800248
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole
CID 113088698

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole?
The IUPAC name of 2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole (CID 113088941) is 2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole.
What is the SMILES notation for 2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole?
The canonical SMILES for 2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole is CCc1ccc(S(=O)(=O)N2CCCC(c3cc4cc(OC)ccc4[nH]3)C2)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole?
The InChIKey is NVRPSKMLFVODNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-3-16-6-9-20(10-7-16)28(25,26)24-12-4-5-17(15-24)22-14-18-13-19(27-2)8-11-21(18)23-22/h6-11,13-14,17,23H,3-5,12,15H2,1-2H3.
What are the key properties of 2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole?
2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole has a molecular weight of 398.53 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole is sourced from PubChem (CID 113088941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).