4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole

C17H15F2NO4S — CID 167433343

IUPAC4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole
SMILESCCS(=O)(=O)n1ccc2c(Oc3ccc(F)cc3F)cc(OC)cc21
InChIInChI=1S/C17H15F2NO4S/c1-3-25(21,22)20-7-6-13-15(20)9-12(23-2)10-17(13)24-16-5-4-11(18)8-14(16)19/h4-10H,3H2,1-2H3
InChIKeyCCUIWKVLHVZIGP-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.92
Rot. Bonds5

About 4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole

4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole (PubChem CID 167433343) has the molecular formula C17H15F2NO4S and a molecular weight of 367.37 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole
PubChem CID167433343
Molecular FormulaC17H15F2NO4S
Molecular Weight367.37 g/mol
Exact Mass367.07
IUPAC Name4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole
SMILESCCS(=O)(=O)n1ccc2c(Oc3ccc(F)cc3F)cc(OC)cc21
InChIInChI=1S/C17H15F2NO4S/c1-3-25(21,22)20-7-6-13-15(20)9-12(23-2)10-17(13)24-16-5-4-11(18)8-14(16)19/h4-10H,3H2,1-2H3
InChIKeyCCUIWKVLHVZIGP-UHFFFAOYSA-N
XLogP3.92
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-difluorophenoxy)-6-methoxy-1H-indole
CID 167433327
6-bromo-5-(4-chloro-2-fluorophenoxy)-1-ethylsulfonylindole
CID 167433351
3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran
CID 11536825
[4-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-yl] trifluoromethanesulfonate
CID 167433355
5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol
CID 167433379
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
2-fluoro-1-(4-fluorophenoxy)-4-methoxybenzene
CID 174755555
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 51066694
N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide
CID 146525100
[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol
CID 170871680
2-bromo-1-(2,4-difluorophenoxy)-4-[(1S)-1-ethylsulfonylethyl]benzene
CID 124677431

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole?
The IUPAC name of 4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole (CID 167433343) is 4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole?
The canonical SMILES for 4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole is CCS(=O)(=O)n1ccc2c(Oc3ccc(F)cc3F)cc(OC)cc21.
What is the InChIKey of 4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole?
The InChIKey is CCUIWKVLHVZIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO4S/c1-3-25(21,22)20-7-6-13-15(20)9-12(23-2)10-17(13)24-16-5-4-11(18)8-14(16)19/h4-10H,3H2,1-2H3.
What are the key properties of 4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole?
4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole has a molecular weight of 367.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole is sourced from PubChem (CID 167433343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).