[1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone

C24H22N2O5S — CID 67036009

IUPAC[1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone
SMILESCCOc1cccc2c1c(OCC)c(C(=O)c1ccccn1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H22N2O5S/c1-3-30-20-15-10-14-19-21(20)24(31-4-2)22(23(27)18-13-8-9-16-25-18)26(19)32(28,29)17-11-6-5-7-12-17/h5-16H,3-4H2,1-2H3
InChIKeyUMEBXGPYLUWSIW-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.30
Rot. Bonds8

About [1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone

[1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone (PubChem CID 67036009) has the molecular formula C24H22N2O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone
PubChem CID67036009
Molecular FormulaC24H22N2O5S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Name[1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone
SMILESCCOc1cccc2c1c(OCC)c(C(=O)c1ccccn1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H22N2O5S/c1-3-30-20-15-10-14-19-21(20)24(31-4-2)22(23(27)18-13-8-9-16-25-18)26(19)32(28,29)17-11-6-5-7-12-17/h5-16H,3-4H2,1-2H3
InChIKeyUMEBXGPYLUWSIW-UHFFFAOYSA-N
XLogP4.30
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone?
The IUPAC name of [1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone (CID 67036009) is [1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone is CCOc1cccc2c1c(OCC)c(C(=O)c1ccccn1)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone?
The InChIKey is UMEBXGPYLUWSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5S/c1-3-30-20-15-10-14-19-21(20)24(31-4-2)22(23(27)18-13-8-9-16-25-18)26(19)32(28,29)17-11-6-5-7-12-17/h5-16H,3-4H2,1-2H3.
What are the key properties of [1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone?
[1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone has a molecular weight of 450.52 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 67036009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).