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

C21H24N2O3S — CID 113088284

IUPAC5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
SMILESCOc1ccc2[nH]c(C3CCN(S(=O)(=O)c4cccc(C)c4)CC3)cc2c1
InChIInChI=1S/C21H24N2O3S/c1-15-4-3-5-19(12-15)27(24,25)23-10-8-16(9-11-23)21-14-17-13-18(26-2)6-7-20(17)22-21/h3-7,12-14,16,22H,8-11H2,1-2H3
InChIKeyFLDNASMRSSNIHT-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.05
Rot. Bonds4

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

5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole (PubChem CID 113088284) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
PubChem CID113088284
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
SMILESCOc1ccc2[nH]c(C3CCN(S(=O)(=O)c4cccc(C)c4)CC3)cc2c1
InChIInChI=1S/C21H24N2O3S/c1-15-4-3-5-19(12-15)27(24,25)23-10-8-16(9-11-23)21-14-17-13-18(26-2)6-7-20(17)22-21/h3-7,12-14,16,22H,8-11H2,1-2H3
InChIKeyFLDNASMRSSNIHT-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-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087583
2-cyclobutyl-5-methoxy-1H-indole
CID 84670139
5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113088184
2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole
CID 113088941
2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087902
2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole
CID 113088700
(3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088227
2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088256
5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole
CID 113088701
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
5-methoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087575
N-(4-methoxyphenyl)-5-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50818812

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
The IUPAC name of 5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole (CID 113088284) is 5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole.
What is the SMILES notation for 5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
The canonical SMILES for 5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole is COc1ccc2[nH]c(C3CCN(S(=O)(=O)c4cccc(C)c4)CC3)cc2c1.
What is the InChIKey of 5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
The InChIKey is FLDNASMRSSNIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15-4-3-5-19(12-15)27(24,25)23-10-8-16(9-11-23)21-14-17-13-18(26-2)6-7-20(17)22-21/h3-7,12-14,16,22H,8-11H2,1-2H3.
What are the key properties of 5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole?
5-methoxy-2-[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-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole is sourced from PubChem (CID 113088284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).