5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole

C21H24N2O2S — CID 113088701

IUPAC5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole
SMILESCc1ccc(S(=O)(=O)N2CCCC(c3cc4cc(C)ccc4[nH]3)C2)cc1
InChIInChI=1S/C21H24N2O2S/c1-15-5-8-19(9-6-15)26(24,25)23-11-3-4-17(14-23)21-13-18-12-16(2)7-10-20(18)22-21/h5-10,12-13,17,22H,3-4,11,14H2,1-2H3
InChIKeyQDVRFHLVSIZNBI-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.35
Rot. Bonds3

About 5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole

5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole (PubChem CID 113088701) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole.

Molecular Properties

Compound Name5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole
PubChem CID113088701
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole
SMILESCc1ccc(S(=O)(=O)N2CCCC(c3cc4cc(C)ccc4[nH]3)C2)cc1
InChIInChI=1S/C21H24N2O2S/c1-15-5-8-19(9-6-15)26(24,25)23-11-3-4-17(14-23)21-13-18-12-16(2)7-10-20(18)22-21/h5-10,12-13,17,22H,3-4,11,14H2,1-2H3
InChIKeyQDVRFHLVSIZNBI-UHFFFAOYSA-N
XLogP4.35
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
CID 113088695
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088723
2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole
CID 113088698
2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605
2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole
CID 113088941
N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 51728621
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
3-fluoro-1-(4-methylphenyl)sulfonylpiperidine
CID 102167204
2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole
CID 113088376
(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088680

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole?
The IUPAC name of 5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole (CID 113088701) is 5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole.
What is the SMILES notation for 5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole?
The canonical SMILES for 5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole is Cc1ccc(S(=O)(=O)N2CCCC(c3cc4cc(C)ccc4[nH]3)C2)cc1.
What is the InChIKey of 5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole?
The InChIKey is QDVRFHLVSIZNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-15-5-8-19(9-6-15)26(24,25)23-11-3-4-17(14-23)21-13-18-12-16(2)7-10-20(18)22-21/h5-10,12-13,17,22H,3-4,11,14H2,1-2H3.
What are the key properties of 5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole?
5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole has a molecular weight of 368.50 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole is sourced from PubChem (CID 113088701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).