4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine

C19H18FNO3S2 — CID 138540911

IUPAC4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine
SMILESO=S(=O)(Cc1ccc(F)cc1)c1cccc2sc(N3CCOCC3)cc12
InChIInChI=1S/C19H18FNO3S2/c20-15-6-4-14(5-7-15)13-26(22,23)18-3-1-2-17-16(18)12-19(25-17)21-8-10-24-11-9-21/h1-7,12H,8-11,13H2
InChIKeyUQDXMIKGLLLKQR-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.85
Rot. Bonds4

About 4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine

4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine (PubChem CID 138540911) has the molecular formula C19H18FNO3S2 and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine
PubChem CID138540911
Molecular FormulaC19H18FNO3S2
Molecular Weight391.49 g/mol
Exact Mass391.07
IUPAC Name4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine
SMILESO=S(=O)(Cc1ccc(F)cc1)c1cccc2sc(N3CCOCC3)cc12
InChIInChI=1S/C19H18FNO3S2/c20-15-6-4-14(5-7-15)13-26(22,23)18-3-1-2-17-16(18)12-19(25-17)21-8-10-24-11-9-21/h1-7,12H,8-11,13H2
InChIKeyUQDXMIKGLLLKQR-UHFFFAOYSA-N
XLogP3.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]benzenesulfonamide
CID 57920413
N-(1-benzothiophen-2-yl)-N-butyl-4-morpholin-4-ylbenzenesulfonamide
CID 57920469
N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]ethanesulfonamide
CID 57920541
N-(1-benzothiophen-2-yl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 60144196
N-(3-methyl-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 66906751
N-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 66906825
N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]propane-1-sulfonamide
CID 66906917
N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 66906947
N-(3-chloro-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 66906982
N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]methanesulfonamide
CID 66907118
N-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide
CID 66907160
N-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 66907340

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine?
The IUPAC name of 4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine (CID 138540911) is 4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine is O=S(=O)(Cc1ccc(F)cc1)c1cccc2sc(N3CCOCC3)cc12.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine?
The InChIKey is UQDXMIKGLLLKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3S2/c20-15-6-4-14(5-7-15)13-26(22,23)18-3-1-2-17-16(18)12-19(25-17)21-8-10-24-11-9-21/h1-7,12H,8-11,13H2.
What are the key properties of 4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine?
4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine has a molecular weight of 391.49 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methylsulfonyl]-1-benzothiophen-2-yl]morpholine is sourced from PubChem (CID 138540911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).