[1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone

C23H18FNO5S — CID 11442011

IUPAC[1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone
SMILESCOc1ccc(OC)c2c1cc(C(=O)c1cccc(F)c1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H18FNO5S/c1-29-20-11-12-21(30-2)22-18(20)14-19(23(26)15-7-6-8-16(24)13-15)25(22)31(27,28)17-9-4-3-5-10-17/h3-14H,1-2H3
InChIKeyUSBGWYYVDXBGBS-UHFFFAOYSA-N
MW439.46 g/mol
LogP4.27
Rot. Bonds6

About [1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone

[1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone (PubChem CID 11442011) has the molecular formula C23H18FNO5S and a molecular weight of 439.46 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone
PubChem CID11442011
Molecular FormulaC23H18FNO5S
Molecular Weight439.46 g/mol
Exact Mass439.09
IUPAC Name[1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone
SMILESCOc1ccc(OC)c2c1cc(C(=O)c1cccc(F)c1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H18FNO5S/c1-29-20-11-12-21(30-2)22-18(20)14-19(23(26)15-7-6-8-16(24)13-15)25(22)31(27,28)17-9-4-3-5-10-17/h3-14H,1-2H3
InChIKeyUSBGWYYVDXBGBS-UHFFFAOYSA-N
XLogP4.27
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone (CID 11442011) is [1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone is COc1ccc(OC)c2c1cc(C(=O)c1cccc(F)c1)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone?
The InChIKey is USBGWYYVDXBGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO5S/c1-29-20-11-12-21(30-2)22-18(20)14-19(23(26)15-7-6-8-16(24)13-15)25(22)31(27,28)17-9-4-3-5-10-17/h3-14H,1-2H3.
What are the key properties of [1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone?
[1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone has a molecular weight of 439.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-4,7-dimethoxyindol-2-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 11442011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).