[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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Related Compounds

[9-(benzenesulfonyl)carbazol-4-yl] acetate
CID 11257063
ethyl 1-(benzenesulfonyl)-3-(1,3-thiazol-2-yl)indole-2-carboxylate
CID 134907002
[1-(benzenesulfonyl)-3-chloroindol-2-yl]-pyridin-4-ylmethanone
CID 67035769
[1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone
CID 10452101
methyl 1-(benzenesulfonyl)-2-(1-methylimidazole-2-carbonyl)indole-3-carboxylate
CID 59030364
3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4059850
1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
CID 110535227
9-(benzenesulfonyl)-4-methylcarbazole
CID 14594808
methyl 1-(benzenesulfonyl)-2-[hydroxy(pyridin-2-yl)methyl]indole-3-carboxylate
CID 59030368
tert-butyl 2-[1-(benzenesulfonyl)-2-ethyl-3-oxamoylindol-4-yl]oxyacetate
CID 10814787
2,3-diethoxyphenol;diphenylmethanone
CID 159024064
(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone
CID 114638964

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).