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

C21H24N2O3S — CID 113087583

IUPAC5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
SMILESCOc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cccc(C)c4)CC3)c2c1
InChIInChI=1S/C21H24N2O3S/c1-15-4-3-5-18(12-15)27(24,25)23-10-8-16(9-11-23)20-14-22-21-7-6-17(26-2)13-19(20)21/h3-7,12-14,16,22H,8-11H2,1-2H3
InChIKeyWEPARDIKLNPSQB-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.05
Rot. Bonds4

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

5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole (PubChem CID 113087583) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
PubChem CID113087583
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
SMILESCOc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cccc(C)c4)CC3)c2c1
InChIInChI=1S/C21H24N2O3S/c1-15-4-3-5-18(12-15)27(24,25)23-10-8-16(9-11-23)20-14-22-21-7-6-17(26-2)13-19(20)21/h3-7,12-14,16,22H,8-11H2,1-2H3
InChIKeyWEPARDIKLNPSQB-UHFFFAOYSA-N
XLogP4.05
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087575
5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113088284
3-[1-[3-(4-cyclobutylpiperazin-1-yl)-4-methoxyphenyl]sulfonylpiperidin-4-yl]-5-methoxy-1H-indole
CID 163880260
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 84563257
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
3-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-fluoro-1H-indole
CID 113087436
5-methyl-3-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperidin-4-yl]-1H-indole
CID 46103687
3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole
CID 133298637
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
The IUPAC name of 5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole (CID 113087583) is 5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole is COc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cccc(C)c4)CC3)c2c1.
What is the InChIKey of 5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
The InChIKey is WEPARDIKLNPSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15-4-3-5-18(12-15)27(24,25)23-10-8-16(9-11-23)20-14-22-21-7-6-17(26-2)13-19(20)21/h3-7,12-14,16,22H,8-11H2,1-2H3.
What are the key properties of 5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole has a molecular weight of 384.50 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole is sourced from PubChem (CID 113087583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).