1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole

C20H22N2O2S — CID 58017354

IUPAC1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole
SMILESCc1ccc(S(=O)(=O)n2cc(C3CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C20H22N2O2S/c1-15-6-8-17(9-7-15)25(23,24)22-14-19(16-10-12-21-13-11-16)18-4-2-3-5-20(18)22/h2-9,14,16,21H,10-13H2,1H3
InChIKeyNTJIHEFNBDMNOP-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.65
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole

1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole (PubChem CID 58017354) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole
PubChem CID58017354
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole
SMILESCc1ccc(S(=O)(=O)n2cc(C3CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C20H22N2O2S/c1-15-6-8-17(9-7-15)25(23,24)22-14-19(16-10-12-21-13-11-16)18-4-2-3-5-20(18)22/h2-9,14,16,21H,10-13H2,1H3
InChIKeyNTJIHEFNBDMNOP-UHFFFAOYSA-N
XLogP3.65
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole 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

6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine
CID 170426402
(1R,3R)-N-methyl-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-2,3-dihydro-1H-inden-1-amine
CID 68910845
1-(4-methylphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole;hydrochloride
CID 175183696
1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)indole
CID 101221610
ethyl (2S,3S,4R)-3-ethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]piperidine-4-carboxylate
CID 50916027
5-[1-(benzenesulfonyl)indol-3-yl]-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine
CID 50916769
N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine
CID 177498842
(3aR,4S,9bS)-4-[1-(benzenesulfonyl)indol-3-yl]-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 101076866
methyl (3S)-5-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-oxooxolane-3-carboxylate
CID 135028350
4-(3-cyclopentylindol-1-yl)sulfonyl-N-piperidin-1-ylbenzamide
CID 58974997
1-(4-benzylphenyl)sulfonyl-3-(1-benzylpyrrolidin-3-yl)indole
CID 141064066
1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol
CID 22091407

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole (CID 58017354) is 1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole is Cc1ccc(S(=O)(=O)n2cc(C3CCNCC3)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole?
The InChIKey is NTJIHEFNBDMNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-15-6-8-17(9-7-15)25(23,24)22-14-19(16-10-12-21-13-11-16)18-4-2-3-5-20(18)22/h2-9,14,16,21H,10-13H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole?
1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole has a molecular weight of 354.48 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole is sourced from PubChem (CID 58017354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).