3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole

C22H24N2O2S — CID 6622557

IUPAC3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole
SMILESCCn1c(C)c(C2=CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H24N2O2S/c1-3-24-17(2)22(20-11-7-8-12-21(20)24)18-13-15-23(16-14-18)27(25,26)19-9-5-4-6-10-19/h4-13H,3,14-16H2,1-2H3
InChIKeyGHUYLCXBDJBFFV-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.45
Rot. Bonds4

About 3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole

3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole (PubChem CID 6622557) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole.

Molecular Properties

Compound Name3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole
PubChem CID6622557
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole
SMILESCCn1c(C)c(C2=CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H24N2O2S/c1-3-24-17(2)22(20-11-7-8-12-21(20)24)18-13-15-23(16-14-18)27(25,26)19-9-5-4-6-10-19/h4-13H,3,14-16H2,1-2H3
InChIKeyGHUYLCXBDJBFFV-UHFFFAOYSA-N
XLogP4.45
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole?
The IUPAC name of 3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole (CID 6622557) is 3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole.
What is the SMILES notation for 3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole?
The canonical SMILES for 3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole is CCn1c(C)c(C2=CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole?
The InChIKey is GHUYLCXBDJBFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-3-24-17(2)22(20-11-7-8-12-21(20)24)18-13-15-23(16-14-18)27(25,26)19-9-5-4-6-10-19/h4-13H,3,14-16H2,1-2H3.
What are the key properties of 3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole?
3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole has a molecular weight of 380.51 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-ethyl-2-methylindole is sourced from PubChem (CID 6622557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).