[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone

C22H16FNO4S — CID 10927700

IUPAC[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc2c(c1)cc(C(=O)c1ccc(F)cc1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H16FNO4S/c1-28-18-11-12-20-16(13-18)14-21(22(25)15-7-9-17(23)10-8-15)24(20)29(26,27)19-5-3-2-4-6-19/h2-14H,1H3
InChIKeyMMLBYPMMAYLOJR-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.26
Rot. Bonds5

About [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone

[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone (PubChem CID 10927700) has the molecular formula C22H16FNO4S and a molecular weight of 409.44 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone
PubChem CID10927700
Molecular FormulaC22H16FNO4S
Molecular Weight409.44 g/mol
Exact Mass409.08
IUPAC Name[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc2c(c1)cc(C(=O)c1ccc(F)cc1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H16FNO4S/c1-28-18-11-12-20-16(13-18)14-21(22(25)15-7-9-17(23)10-8-15)24(20)29(26,27)19-5-3-2-4-6-19/h2-14H,1H3
InChIKeyMMLBYPMMAYLOJR-UHFFFAOYSA-N
XLogP4.26
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone (CID 10927700) is [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone is COc1ccc2c(c1)cc(C(=O)c1ccc(F)cc1)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone?
The InChIKey is MMLBYPMMAYLOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO4S/c1-28-18-11-12-20-16(13-18)14-21(22(25)15-7-9-17(23)10-8-15)24(20)29(26,27)19-5-3-2-4-6-19/h2-14H,1H3.
What are the key properties of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone?
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone has a molecular weight of 409.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 10927700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).