2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole

C20H22N2O2S — CID 113088700

IUPAC2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]c(C3CCCN(S(=O)(=O)c4ccccc4)C3)cc2c1
InChIInChI=1S/C20H22N2O2S/c1-15-9-10-19-17(12-15)13-20(21-19)16-6-5-11-22(14-16)25(23,24)18-7-3-2-4-8-18/h2-4,7-10,12-13,16,21H,5-6,11,14H2,1H3
InChIKeyUITWKEUOGHWNNU-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.04
Rot. Bonds3

About 2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole

2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole (PubChem CID 113088700) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole
PubChem CID113088700
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]c(C3CCCN(S(=O)(=O)c4ccccc4)C3)cc2c1
InChIInChI=1S/C20H22N2O2S/c1-15-9-10-19-17(12-15)13-20(21-19)16-6-5-11-22(14-16)25(23,24)18-7-3-2-4-8-18/h2-4,7-10,12-13,16,21H,5-6,11,14H2,1H3
InChIKeyUITWKEUOGHWNNU-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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]-1H-indole
CID 113088605
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088723
5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
CID 113088695
2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole
CID 113088698
N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 51728621
2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole
CID 113088941
2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole
CID 113088376
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
2-(1-propylsulfonylpiperidin-3-yl)-1H-indole
CID 113088602
5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113088284

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole (CID 113088700) is 2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole is Cc1ccc2[nH]c(C3CCCN(S(=O)(=O)c4ccccc4)C3)cc2c1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole?
The InChIKey is UITWKEUOGHWNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-15-9-10-19-17(12-15)13-20(21-19)16-6-5-11-22(14-16)25(23,24)18-7-3-2-4-8-18/h2-4,7-10,12-13,16,21H,5-6,11,14H2,1H3.
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole?
2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole has a molecular weight of 354.48 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole is sourced from PubChem (CID 113088700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).