N-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

C17H20FN3O3S — CID 9026512

IUPACN-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCCc2cccc(F)c2)nc1)N1CCOCC1
InChIInChI=1S/C17H20FN3O3S/c18-15-3-1-2-14(12-15)6-7-19-17-5-4-16(13-20-17)25(22,23)21-8-10-24-11-9-21/h1-5,12-13H,6-11H2,(H,19,20)
InChIKeyMTHFBHMXERFYPH-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.90
Rot. Bonds6

About N-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

N-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 9026512) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID9026512
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCCc2cccc(F)c2)nc1)N1CCOCC1
InChIInChI=1S/C17H20FN3O3S/c18-15-3-1-2-14(12-15)6-7-19-17-5-4-16(13-20-17)25(22,23)21-8-10-24-11-9-21/h1-5,12-13H,6-11H2,(H,19,20)
InChIKeyMTHFBHMXERFYPH-UHFFFAOYSA-N
XLogP1.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 9026512) is N-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NCCc2cccc(F)c2)nc1)N1CCOCC1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is MTHFBHMXERFYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c18-15-3-1-2-14(12-15)6-7-19-17-5-4-16(13-20-17)25(22,23)21-8-10-24-11-9-21/h1-5,12-13H,6-11H2,(H,19,20).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 365.43 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 9026512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).