2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole

C20H22N2O2S — CID 113089044

IUPAC2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole
SMILESCc1ccccc1S(=O)(=O)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C20H22N2O2S/c1-15-8-2-5-12-20(15)25(23,24)22-13-7-6-11-19(22)18-14-16-9-3-4-10-17(16)21-18/h2-5,8-10,12,14,19,21H,6-7,11,13H2,1H3
InChIKeyDHUOTUDBYMRHHO-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.39
Rot. Bonds3

About 2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole

2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole (PubChem CID 113089044) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole
PubChem CID113089044
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole
SMILESCc1ccccc1S(=O)(=O)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C20H22N2O2S/c1-15-8-2-5-12-20(15)25(23,24)22-13-7-6-11-19(22)18-14-16-9-3-4-10-17(16)21-18/h2-5,8-10,12,14,19,21H,6-7,11,13H2,1H3
InChIKeyDHUOTUDBYMRHHO-UHFFFAOYSA-N
XLogP4.39
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 118741478
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
(2R)-1-(2-methylphenyl)sulfonyl-2-thiophen-2-ylazepane
CID 92502924
2-methyl-5-[(2S)-1-(2-methylphenyl)sulfonylazepan-2-yl]-1,3,4-oxadiazole
CID 164630808
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455
2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]-1H-indole
CID 95344808
2-[2-(1H-indol-2-yl)piperidin-1-yl]-4-methylpyrimidine-5-carboxylic acid
CID 154868012
2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole
CID 113088376
2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole
CID 146096191
3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine
CID 157370024
3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 50809457
2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole
CID 122668604

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole?
The IUPAC name of 2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole (CID 113089044) is 2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole.
What is the SMILES notation for 2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole?
The canonical SMILES for 2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole is Cc1ccccc1S(=O)(=O)N1CCCCC1c1cc2ccccc2[nH]1.
What is the InChIKey of 2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole?
The InChIKey is DHUOTUDBYMRHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-15-8-2-5-12-20(15)25(23,24)22-13-7-6-11-19(22)18-14-16-9-3-4-10-17(16)21-18/h2-5,8-10,12,14,19,21H,6-7,11,13H2,1H3.
What are the key properties of 2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole?
2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole has a molecular weight of 354.48 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole is sourced from PubChem (CID 113089044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).