4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine

C20H21FN2O3S — CID 24860597

IUPAC4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine
SMILESO=S(=O)(c1cccc(F)c1)c1c[nH]c2cccc(CCN3CCOCC3)c12
InChIInChI=1S/C20H21FN2O3S/c21-16-4-2-5-17(13-16)27(24,25)19-14-22-18-6-1-3-15(20(18)19)7-8-23-9-11-26-12-10-23/h1-6,13-14,22H,7-12H2
InChIKeyLSLFDWOEXKSGAB-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.01
Rot. Bonds5

About 4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine

4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine (PubChem CID 24860597) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine
PubChem CID24860597
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine
SMILESO=S(=O)(c1cccc(F)c1)c1c[nH]c2cccc(CCN3CCOCC3)c12
InChIInChI=1S/C20H21FN2O3S/c21-16-4-2-5-17(13-16)27(24,25)19-14-22-18-6-1-3-15(20(18)19)7-8-23-9-11-26-12-10-23/h1-6,13-14,22H,7-12H2
InChIKeyLSLFDWOEXKSGAB-UHFFFAOYSA-N
XLogP3.01
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine (CID 24860597) is 4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine is O=S(=O)(c1cccc(F)c1)c1c[nH]c2cccc(CCN3CCOCC3)c12.
What is the InChIKey of 4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine?
The InChIKey is LSLFDWOEXKSGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c21-16-4-2-5-17(13-16)27(24,25)19-14-22-18-6-1-3-15(20(18)19)7-8-23-9-11-26-12-10-23/h1-6,13-14,22H,7-12H2.
What are the key properties of 4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine?
4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine has a molecular weight of 388.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine is sourced from PubChem (CID 24860597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).