2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C21H22N2O2S — CID 20867201

IUPAC2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H22N2O2S/c1-15-7-9-18(10-8-15)26(24,25)23-13-11-17(12-14-23)21-16(2)22-20-6-4-3-5-19(20)21/h3-11,22H,12-14H2,1-2H3
InChIKeyQFYIJSBOMSNJJQ-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.26
Rot. Bonds3

About 2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 20867201) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID20867201
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H22N2O2S/c1-15-7-9-18(10-8-15)26(24,25)23-13-11-17(12-14-23)21-16(2)22-20-6-4-3-5-19(20)21/h3-11,22H,12-14H2,1-2H3
InChIKeyQFYIJSBOMSNJJQ-UHFFFAOYSA-N
XLogP4.26
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 20867214
3-[1-(4-ethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 113086831
3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 113086828
3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 20867218
3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 20867231
2-methyl-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
CID 113086652
2-(4-methylphenyl)sulfonyl-5-phenyl-3,10-dihydro-1H-azepino[3,4-b]indole
CID 51357705
ethyl 4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 6622349
2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113086810
3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086699
1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethane-1,2-dione
CID 43063930
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
CID 25193145

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 20867201) is 2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is Cc1ccc(S(=O)(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is QFYIJSBOMSNJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-15-7-9-18(10-8-15)26(24,25)23-13-11-17(12-14-23)21-16(2)22-20-6-4-3-5-19(20)21/h3-11,22H,12-14H2,1-2H3.
What are the key properties of 2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 366.49 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 20867201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).