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

C18H19FN2O2S — CID 24768515

IUPAC2-[3-(3-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(S(=O)(=O)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C18H19FN2O2S/c1-20(2)10-11-21-13-18(16-8-3-4-9-17(16)21)24(22,23)15-7-5-6-14(19)12-15/h3-9,12-13H,10-11H2,1-2H3
InChIKeyJOERYDWTJHBWAH-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.17
Rot. Bonds5

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

2-[3-(3-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylethanamine (PubChem CID 24768515) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylethanamine
PubChem CID24768515
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name2-[3-(3-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(S(=O)(=O)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C18H19FN2O2S/c1-20(2)10-11-21-13-18(16-8-3-4-9-17(16)21)24(22,23)15-7-5-6-14(19)12-15/h3-9,12-13H,10-11H2,1-2H3
InChIKeyJOERYDWTJHBWAH-UHFFFAOYSA-N
XLogP3.17
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(3-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylethanamine (CID 24768515) is 2-[3-(3-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(3-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(3-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1cc(S(=O)(=O)c2cccc(F)c2)c2ccccc21.
What is the InChIKey of 2-[3-(3-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylethanamine?
The InChIKey is JOERYDWTJHBWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-20(2)10-11-21-13-18(16-8-3-4-9-17(16)21)24(22,23)15-7-5-6-14(19)12-15/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 2-[3-(3-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylethanamine?
2-[3-(3-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylethanamine has a molecular weight of 346.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 24768515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).