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

C22H19FN2O2S2 — CID 91379322

IUPAC1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCC1CC(c2cn(S(=O)(=O)c3csc4ccccc34)c3ccc(F)cc23)=CCN1
InChIInChI=1S/C22H19FN2O2S2/c1-14-10-15(8-9-24-14)19-12-25(20-7-6-16(23)11-18(19)20)29(26,27)22-13-28-21-5-3-2-4-17(21)22/h2-8,11-14,24H,9-10H2,1H3
InChIKeyBZSJRILLCATCTA-UHFFFAOYSA-N
MW426.54 g/mol
LogP5.00
Rot. Bonds3

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

1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indole (PubChem CID 91379322) has the molecular formula C22H19FN2O2S2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indole.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indole
PubChem CID91379322
Molecular FormulaC22H19FN2O2S2
Molecular Weight426.54 g/mol
Exact Mass426.09
IUPAC Name1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCC1CC(c2cn(S(=O)(=O)c3csc4ccccc34)c3ccc(F)cc23)=CCN1
InChIInChI=1S/C22H19FN2O2S2/c1-14-10-15(8-9-24-14)19-12-25(20-7-6-16(23)11-18(19)20)29(26,27)22-13-28-21-5-3-2-4-17(21)22/h2-8,11-14,24H,9-10H2,1H3
InChIKeyBZSJRILLCATCTA-UHFFFAOYSA-N
XLogP5.00
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [3-(2-diethylamino-ethyl)-1H-indol-5-yl]-amide
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N-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-5-chloro-3-methyl-benzo[b]thiophene-2-sulphonamide
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5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [3-(2-dipropylamino-ethyl)-1H-indol-5-yl]-amide
CID 10278839
4-[3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
CID 11739679

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indole?
The IUPAC name of 1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indole (CID 91379322) is 1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indole.
What is the SMILES notation for 1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indole?
The canonical SMILES for 1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indole is CC1CC(c2cn(S(=O)(=O)c3csc4ccccc34)c3ccc(F)cc23)=CCN1.
What is the InChIKey of 1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indole?
The InChIKey is BZSJRILLCATCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S2/c1-14-10-15(8-9-24-14)19-12-25(20-7-6-16(23)11-18(19)20)29(26,27)22-13-28-21-5-3-2-4-17(21)22/h2-8,11-14,24H,9-10H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indole?
1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indole has a molecular weight of 426.54 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indole is sourced from PubChem (CID 91379322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).