1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

C22H19FN2O2S2 — CID 24743528

IUPAC1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cc4ccccc4s3)c3ccc(F)cc23)CC1
InChIInChI=1S/C22H19FN2O2S2/c1-24-10-8-15(9-11-24)19-14-25(20-7-6-17(23)13-18(19)20)29(26,27)22-12-16-4-2-3-5-21(16)28-22/h2-8,12-14H,9-11H2,1H3
InChIKeyXKLNYZHURAVJTF-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.95
Rot. Bonds3

About 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (PubChem CID 24743528) has the molecular formula C22H19FN2O2S2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.

Molecular Properties

Compound Name1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
PubChem CID24743528
Molecular FormulaC22H19FN2O2S2
Molecular Weight426.54 g/mol
Exact Mass426.09
IUPAC Name1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cc4ccccc4s3)c3ccc(F)cc23)CC1
InChIInChI=1S/C22H19FN2O2S2/c1-24-10-8-15(9-11-24)19-14-25(20-7-6-17(23)13-18(19)20)29(26,27)22-12-16-4-2-3-5-21(16)28-22/h2-8,12-14H,9-11H2,1H3
InChIKeyXKLNYZHURAVJTF-UHFFFAOYSA-N
XLogP4.95
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The IUPAC name of 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (CID 24743528) is 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.
What is the SMILES notation for 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The canonical SMILES for 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is CN1CC=C(c2cn(S(=O)(=O)c3cc4ccccc4s3)c3ccc(F)cc23)CC1.
What is the InChIKey of 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The InChIKey is XKLNYZHURAVJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S2/c1-24-10-8-15(9-11-24)19-14-25(20-7-6-17(23)13-18(19)20)29(26,27)22-12-16-4-2-3-5-21(16)28-22/h2-8,12-14H,9-11H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole has a molecular weight of 426.54 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is sourced from PubChem (CID 24743528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).