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

C22H24N2O2S — CID 113086828

IUPAC3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1C
InChIInChI=1S/C22H24N2O2S/c1-15-8-9-19(14-16(15)2)27(25,26)24-12-10-18(11-13-24)22-17(3)23-21-7-5-4-6-20(21)22/h4-10,14,23H,11-13H2,1-3H3
InChIKeyFOIAPWNMSXAMGU-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.57
Rot. Bonds3

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

3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole (PubChem CID 113086828) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
PubChem CID113086828
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1C
InChIInChI=1S/C22H24N2O2S/c1-15-8-9-19(14-16(15)2)27(25,26)24-12-10-18(11-13-24)22-17(3)23-21-7-5-4-6-20(21)22/h4-10,14,23H,11-13H2,1-3H3
InChIKeyFOIAPWNMSXAMGU-UHFFFAOYSA-N
XLogP4.57
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole?
The IUPAC name of 3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole (CID 113086828) is 3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole?
The canonical SMILES for 3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole is Cc1ccc(S(=O)(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1C.
What is the InChIKey of 3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole?
The InChIKey is FOIAPWNMSXAMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15-8-9-19(14-16(15)2)27(25,26)24-12-10-18(11-13-24)22-17(3)23-21-7-5-4-6-20(21)22/h4-10,14,23H,11-13H2,1-3H3.
What are the key properties of 3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole?
3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole has a molecular weight of 380.51 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole is sourced from PubChem (CID 113086828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).