3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole

C19H19FN2O2S2 — CID 113086935

IUPAC3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
SMILESCCc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccc(F)cc34)CC2)s1
InChIInChI=1S/C19H19FN2O2S2/c1-2-15-4-6-19(25-15)26(23,24)22-9-7-13(8-10-22)17-12-21-18-5-3-14(20)11-16(17)18/h3-7,11-12,21H,2,8-10H2,1H3
InChIKeyPOLGNUHGASHNEL-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.41
Rot. Bonds4

About 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole

3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole (PubChem CID 113086935) has the molecular formula C19H19FN2O2S2 and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
PubChem CID113086935
Molecular FormulaC19H19FN2O2S2
Molecular Weight390.51 g/mol
Exact Mass390.09
IUPAC Name3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
SMILESCCc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccc(F)cc34)CC2)s1
InChIInChI=1S/C19H19FN2O2S2/c1-2-15-4-6-19(25-15)26(23,24)22-9-7-13(8-10-22)17-12-21-18-5-3-14(20)11-16(17)18/h3-7,11-12,21H,2,8-10H2,1H3
InChIKeyPOLGNUHGASHNEL-UHFFFAOYSA-N
XLogP4.41
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole with MolForge

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Related Compounds

3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086693
5-fluoro-3-[1-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086924
3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
CID 113086926
6-fluoro-3-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 56809095
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113086866
3-[1-(3-bromo-4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
CID 55733538
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113086869
5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 84569970
1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086905
4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 39668146
1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589870
3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086699

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole?
The IUPAC name of 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole (CID 113086935) is 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole.
What is the SMILES notation for 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole?
The canonical SMILES for 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole is CCc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccc(F)cc34)CC2)s1.
What is the InChIKey of 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole?
The InChIKey is POLGNUHGASHNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S2/c1-2-15-4-6-19(25-15)26(23,24)22-9-7-13(8-10-22)17-12-21-18-5-3-14(20)11-16(17)18/h3-7,11-12,21H,2,8-10H2,1H3.
What are the key properties of 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole?
3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole has a molecular weight of 390.51 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole is sourced from PubChem (CID 113086935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).