[1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C24H20FNO6S — CID 56646599

IUPAC[1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc3ccc(F)cc3n2S(=O)(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H20FNO6S/c1-30-21-12-16(13-22(31-2)24(21)32-3)23(27)20-11-15-9-10-17(25)14-19(15)26(20)33(28,29)18-7-5-4-6-8-18/h4-14H,1-3H3
InChIKeyGPABRXAJUDFOPS-UHFFFAOYSA-N
MW469.49 g/mol
LogP4.27
Rot. Bonds7

About [1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 56646599) has the molecular formula C24H20FNO6S and a molecular weight of 469.49 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID56646599
Molecular FormulaC24H20FNO6S
Molecular Weight469.49 g/mol
Exact Mass469.10
IUPAC Name[1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc3ccc(F)cc3n2S(=O)(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H20FNO6S/c1-30-21-12-16(13-22(31-2)24(21)32-3)23(27)20-11-15-9-10-17(25)14-19(15)26(20)33(28,29)18-7-5-4-6-8-18/h4-14H,1-3H3
InChIKeyGPABRXAJUDFOPS-UHFFFAOYSA-N
XLogP4.27
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 56646599) is [1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc3ccc(F)cc3n2S(=O)(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of [1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is GPABRXAJUDFOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO6S/c1-30-21-12-16(13-22(31-2)24(21)32-3)23(27)20-11-15-9-10-17(25)14-19(15)26(20)33(28,29)18-7-5-4-6-8-18/h4-14H,1-3H3.
What are the key properties of [1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 469.49 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-6-fluoroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 56646599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).