2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine

C18H19FN2O3S — CID 10406338

IUPAC2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cn(S(=O)(=O)c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C18H19FN2O3S/c1-20(2)11-12-24-18-13-21(17-6-4-3-5-16(17)18)25(22,23)15-9-7-14(19)8-10-15/h3-10,13H,11-12H2,1-2H3
InChIKeyITMWBWZAFUXFMS-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.96
Rot. Bonds6

About 2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine

2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine (PubChem CID 10406338) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
PubChem CID10406338
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cn(S(=O)(=O)c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C18H19FN2O3S/c1-20(2)11-12-24-18-13-21(17-6-4-3-5-16(17)18)25(22,23)15-9-7-14(19)8-10-15/h3-10,13H,11-12H2,1-2H3
InChIKeyITMWBWZAFUXFMS-UHFFFAOYSA-N
XLogP2.96
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine (CID 10406338) is 2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine is CN(C)CCOc1cn(S(=O)(=O)c2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine?
The InChIKey is ITMWBWZAFUXFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-20(2)11-12-24-18-13-21(17-6-4-3-5-16(17)18)25(22,23)15-9-7-14(19)8-10-15/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine?
2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine has a molecular weight of 362.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 10406338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).