[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,6-difluorophenyl)methanone

C22H15F2NO4S — CID 11112747

IUPAC[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,6-difluorophenyl)methanone
SMILESCOc1ccc2c(c1)cc(C(=O)c1c(F)cccc1F)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H15F2NO4S/c1-29-15-10-11-19-14(12-15)13-20(22(26)21-17(23)8-5-9-18(21)24)25(19)30(27,28)16-6-3-2-4-7-16/h2-13H,1H3
InChIKeyQYMTXUOTJLGSPO-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.40
Rot. Bonds5

About [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,6-difluorophenyl)methanone

[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,6-difluorophenyl)methanone (PubChem CID 11112747) has the molecular formula C22H15F2NO4S and a molecular weight of 427.43 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,6-difluorophenyl)methanone
PubChem CID11112747
Molecular FormulaC22H15F2NO4S
Molecular Weight427.43 g/mol
Exact Mass427.07
IUPAC Name[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,6-difluorophenyl)methanone
SMILESCOc1ccc2c(c1)cc(C(=O)c1c(F)cccc1F)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H15F2NO4S/c1-29-15-10-11-19-14(12-15)13-20(22(26)21-17(23)8-5-9-18(21)24)25(19)30(27,28)16-6-3-2-4-7-16/h2-13H,1H3
InChIKeyQYMTXUOTJLGSPO-UHFFFAOYSA-N
XLogP4.40
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.40
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]-(2,6-difluorophenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,6-difluorophenyl)methanone (CID 11112747) is [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,6-difluorophenyl)methanone is COc1ccc2c(c1)cc(C(=O)c1c(F)cccc1F)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is QYMTXUOTJLGSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2NO4S/c1-29-15-10-11-19-14(12-15)13-20(22(26)21-17(23)8-5-9-18(21)24)25(19)30(27,28)16-6-3-2-4-7-16/h2-13H,1H3.
What are the key properties of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,6-difluorophenyl)methanone?
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 427.43 g/mol, XLogP of 4.40, 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]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 11112747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).