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

C21H24N2O2S — CID 113086588

IUPAC3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
SMILESCc1ccccc1S(=O)(=O)N1CCC(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H24N2O2S/c1-16-6-2-5-9-21(16)26(24,25)23-12-10-17(11-13-23)14-18-15-22-20-8-4-3-7-19(18)20/h2-9,15,17,22H,10-14H2,1H3
InChIKeyDGLNGIUPEQOIKY-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.12
Rot. Bonds4

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

3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole (PubChem CID 113086588) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
PubChem CID113086588
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
SMILESCc1ccccc1S(=O)(=O)N1CCC(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H24N2O2S/c1-16-6-2-5-9-21(16)26(24,25)23-12-10-17(11-13-23)14-18-15-22-20-8-4-3-7-19(18)20/h2-9,15,17,22H,10-14H2,1H3
InChIKeyDGLNGIUPEQOIKY-UHFFFAOYSA-N
XLogP4.12
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
CID 113086589
3-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-indole
CID 113086583
3-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-indole
CID 113074456
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
3-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-indole
CID 110397518
(5S)-5-(1H-indol-3-ylmethyl)-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2615738
(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086545
4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 46287345
3-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-1H-indole
CID 113086472
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883
1H-indol-3-yl-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]methanone
CID 110643540
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole?
The IUPAC name of 3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole (CID 113086588) is 3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole is Cc1ccccc1S(=O)(=O)N1CCC(Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole?
The InChIKey is DGLNGIUPEQOIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-16-6-2-5-9-21(16)26(24,25)23-12-10-17(11-13-23)14-18-15-22-20-8-4-3-7-19(18)20/h2-9,15,17,22H,10-14H2,1H3.
What are the key properties of 3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole?
3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole has a molecular weight of 368.50 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole is sourced from PubChem (CID 113086588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).