1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole

C24H22FN3O2S — CID 162101082

IUPAC1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccc(N3CCCCC3)nc2)c2ccc(F)cc21
InChIInChI=1S/C24H22FN3O2S/c25-19-10-11-21-22(18-9-12-24(26-16-18)27-13-5-2-6-14-27)17-28(23(21)15-19)31(29,30)20-7-3-1-4-8-20/h1,3-4,7-12,15-17H,2,5-6,13-14H2
InChIKeyZEWUUXUKWRUMOJ-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.07
Rot. Bonds4

About 1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole

1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole (PubChem CID 162101082) has the molecular formula C24H22FN3O2S and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole
PubChem CID162101082
Molecular FormulaC24H22FN3O2S
Molecular Weight435.52 g/mol
Exact Mass435.14
IUPAC Name1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccc(N3CCCCC3)nc2)c2ccc(F)cc21
InChIInChI=1S/C24H22FN3O2S/c25-19-10-11-21-22(18-9-12-24(26-16-18)27-13-5-2-6-14-27)17-28(23(21)15-19)31(29,30)20-7-3-1-4-8-20/h1,3-4,7-12,15-17H,2,5-6,13-14H2
InChIKeyZEWUUXUKWRUMOJ-UHFFFAOYSA-N
XLogP5.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole?
The IUPAC name of 1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole (CID 162101082) is 1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole.
What is the SMILES notation for 1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole?
The canonical SMILES for 1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole is O=S(=O)(c1ccccc1)n1cc(-c2ccc(N3CCCCC3)nc2)c2ccc(F)cc21.
What is the InChIKey of 1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole?
The InChIKey is ZEWUUXUKWRUMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2S/c25-19-10-11-21-22(18-9-12-24(26-16-18)27-13-5-2-6-14-27)17-28(23(21)15-19)31(29,30)20-7-3-1-4-8-20/h1,3-4,7-12,15-17H,2,5-6,13-14H2.
What are the key properties of 1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole?
1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole has a molecular weight of 435.52 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-fluoro-3-(6-piperidin-1-yl-3-pyridinyl)indole is sourced from PubChem (CID 162101082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).