[2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone

C24H22N2O3S — CID 70574762

IUPAC[2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone
SMILESCCC(n1c(C)c(C(=O)c2ccccc2)c2ccccc21)S(=O)(=O)c1ccccn1
InChIInChI=1S/C24H22N2O3S/c1-3-22(30(28,29)21-15-9-10-16-25-21)26-17(2)23(19-13-7-8-14-20(19)26)24(27)18-11-5-4-6-12-18/h4-16,22H,3H2,1-2H3
InChIKeyNGEBDCGODOKPJY-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.96
Rot. Bonds6

About [2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone

[2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone (PubChem CID 70574762) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is [2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone
PubChem CID70574762
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name[2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone
SMILESCCC(n1c(C)c(C(=O)c2ccccc2)c2ccccc21)S(=O)(=O)c1ccccn1
InChIInChI=1S/C24H22N2O3S/c1-3-22(30(28,29)21-15-9-10-16-25-21)26-17(2)23(19-13-7-8-14-20(19)26)24(27)18-11-5-4-6-12-18/h4-16,22H,3H2,1-2H3
InChIKeyNGEBDCGODOKPJY-UHFFFAOYSA-N
XLogP4.96
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone?
The IUPAC name of [2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone (CID 70574762) is [2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone.
What is the SMILES notation for [2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone?
The canonical SMILES for [2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone is CCC(n1c(C)c(C(=O)c2ccccc2)c2ccccc21)S(=O)(=O)c1ccccn1.
What is the InChIKey of [2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone?
The InChIKey is NGEBDCGODOKPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-3-22(30(28,29)21-15-9-10-16-25-21)26-17(2)23(19-13-7-8-14-20(19)26)24(27)18-11-5-4-6-12-18/h4-16,22H,3H2,1-2H3.
What are the key properties of [2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone?
[2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone has a molecular weight of 418.52 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone is sourced from PubChem (CID 70574762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).