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

C19H14N2O2S — CID 162652278

IUPAC1-(benzenesulfonyl)-3-pyridin-4-ylindole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccncc2)c2ccccc21
InChIInChI=1S/C19H14N2O2S/c22-24(23,16-6-2-1-3-7-16)21-14-18(15-10-12-20-13-11-15)17-8-4-5-9-19(17)21/h1-14H
InChIKeyWDDKSNPOICMLLU-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.94
Rot. Bonds3

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

1-(benzenesulfonyl)-3-pyridin-4-ylindole (PubChem CID 162652278) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-pyridin-4-ylindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-pyridin-4-ylindole
PubChem CID162652278
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name1-(benzenesulfonyl)-3-pyridin-4-ylindole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccncc2)c2ccccc21
InChIInChI=1S/C19H14N2O2S/c22-24(23,16-6-2-1-3-7-16)21-14-18(15-10-12-20-13-11-15)17-8-4-5-9-19(17)21/h1-14H
InChIKeyWDDKSNPOICMLLU-UHFFFAOYSA-N
XLogP3.94
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-pyridin-4-ylindole?
The IUPAC name of 1-(benzenesulfonyl)-3-pyridin-4-ylindole (CID 162652278) is 1-(benzenesulfonyl)-3-pyridin-4-ylindole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-pyridin-4-ylindole?
The canonical SMILES for 1-(benzenesulfonyl)-3-pyridin-4-ylindole is O=S(=O)(c1ccccc1)n1cc(-c2ccncc2)c2ccccc21.
What is the InChIKey of 1-(benzenesulfonyl)-3-pyridin-4-ylindole?
The InChIKey is WDDKSNPOICMLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-24(23,16-6-2-1-3-7-16)21-14-18(15-10-12-20-13-11-15)17-8-4-5-9-19(17)21/h1-14H.
What are the key properties of 1-(benzenesulfonyl)-3-pyridin-4-ylindole?
1-(benzenesulfonyl)-3-pyridin-4-ylindole has a molecular weight of 334.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-pyridin-4-ylindole is sourced from PubChem (CID 162652278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).