1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole

C25H17FN2O2S — CID 67843534

IUPAC1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C25H17FN2O2S/c26-21-11-8-18(9-12-21)19-10-13-23-24(20-5-4-14-27-16-20)17-28(25(23)15-19)31(29,30)22-6-2-1-3-7-22/h1-17H
InChIKeyWHERUXXHONHHMS-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.75
Rot. Bonds4

About 1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole

1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole (PubChem CID 67843534) has the molecular formula C25H17FN2O2S and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole
PubChem CID67843534
Molecular FormulaC25H17FN2O2S
Molecular Weight428.49 g/mol
Exact Mass428.10
IUPAC Name1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C25H17FN2O2S/c26-21-11-8-18(9-12-21)19-10-13-23-24(20-5-4-14-27-16-20)17-28(25(23)15-19)31(29,30)22-6-2-1-3-7-22/h1-17H
InChIKeyWHERUXXHONHHMS-UHFFFAOYSA-N
XLogP5.75
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole?
The IUPAC name of 1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole (CID 67843534) is 1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole.
What is the SMILES notation for 1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole?
The canonical SMILES for 1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole is O=S(=O)(c1ccccc1)n1cc(-c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21.
What is the InChIKey of 1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole?
The InChIKey is WHERUXXHONHHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O2S/c26-21-11-8-18(9-12-21)19-10-13-23-24(20-5-4-14-27-16-20)17-28(25(23)15-19)31(29,30)22-6-2-1-3-7-22/h1-17H.
What are the key properties of 1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole?
1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole has a molecular weight of 428.49 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole is sourced from PubChem (CID 67843534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).