7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole

C23H28N2O2S — CID 46089981

IUPAC7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole
SMILESCCCc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4c(C)cccc34)CC2)cc1
InChIInChI=1S/C23H28N2O2S/c1-3-5-18-8-10-20(11-9-18)28(26,27)25-14-12-19(13-15-25)22-16-24-23-17(2)6-4-7-21(22)23/h4,6-11,16,19,24H,3,5,12-15H2,1-2H3
InChIKeyJLPKCWQDGGQPPJ-UHFFFAOYSA-N
MW396.56 g/mol
LogP5.00
Rot. Bonds5

About 7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole

7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole (PubChem CID 46089981) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is 7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole
PubChem CID46089981
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole
SMILESCCCc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4c(C)cccc34)CC2)cc1
InChIInChI=1S/C23H28N2O2S/c1-3-5-18-8-10-20(11-9-18)28(26,27)25-14-12-19(13-15-25)22-16-24-23-17(2)6-4-7-21(22)23/h4,6-11,16,19,24H,3,5,12-15H2,1-2H3
InChIKeyJLPKCWQDGGQPPJ-UHFFFAOYSA-N
XLogP5.00
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-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

4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
3-cyclopentyl-7-methyl-1H-indole
CID 106985483
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
7-(2-chlorophenyl)-4-(4-propylphenyl)sulfonyl-1,4-thiazepane
CID 121163612
4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
CID 90589463
8-methyl-1-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine
CID 69434596
3-chloro-1-(4-propylphenyl)sulfonylpyrrolidine
CID 63400652
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
7-methyl-3-(3-methylcyclopentyl)-1H-indole
CID 106985330
N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 51294911
tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate
CID 143790491
N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977456

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
The IUPAC name of 7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole (CID 46089981) is 7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole.
What is the SMILES notation for 7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
The canonical SMILES for 7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole is CCCc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4c(C)cccc34)CC2)cc1.
What is the InChIKey of 7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
The InChIKey is JLPKCWQDGGQPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-3-5-18-8-10-20(11-9-18)28(26,27)25-14-12-19(13-15-25)22-16-24-23-17(2)6-4-7-21(22)23/h4,6-11,16,19,24H,3,5,12-15H2,1-2H3.
What are the key properties of 7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole has a molecular weight of 396.56 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1H-indole is sourced from PubChem (CID 46089981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).