N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide

C20H25FN2O3S — CID 18589484

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C20H25FN2O3S/c21-19-8-6-18(7-9-19)20(23-11-13-26-14-12-23)16-22-27(24,25)15-10-17-4-2-1-3-5-17/h1-9,20,22H,10-16H2
InChIKeyLHWFIYHWGXGWMB-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.36
Rot. Bonds8

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide (PubChem CID 18589484) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide
PubChem CID18589484
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C20H25FN2O3S/c21-19-8-6-18(7-9-19)20(23-11-13-26-14-12-23)16-22-27(24,25)15-10-17-4-2-1-3-5-17/h1-9,20,22H,10-16H2
InChIKeyLHWFIYHWGXGWMB-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide (CID 18589484) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide?
The InChIKey is LHWFIYHWGXGWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c21-19-8-6-18(7-9-19)20(23-11-13-26-14-12-23)16-22-27(24,25)15-10-17-4-2-1-3-5-17/h1-9,20,22H,10-16H2.
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 18589484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).