2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine

C15H16FNO3S2 — CID 45216431

IUPAC2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine
SMILESO=S(=O)(c1cccs1)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H16FNO3S2/c16-13-4-1-3-12(9-13)10-14-11-17(6-7-20-14)22(18,19)15-5-2-8-21-15/h1-5,8-9,14H,6-7,10-11H2
InChIKeyODHYCOMIMMSADG-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.52
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine

2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine (PubChem CID 45216431) has the molecular formula C15H16FNO3S2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine
PubChem CID45216431
Molecular FormulaC15H16FNO3S2
Molecular Weight341.43 g/mol
Exact Mass341.06
IUPAC Name2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine
SMILESO=S(=O)(c1cccs1)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H16FNO3S2/c16-13-4-1-3-12(9-13)10-14-11-17(6-7-20-14)22(18,19)15-5-2-8-21-15/h1-5,8-9,14H,6-7,10-11H2
InChIKeyODHYCOMIMMSADG-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-Fluorobenzyl)-1-(2-thienylsulfonyl)-4-piperidinyl]methanol
CID 16189505
(2S,3R)-2-benzyl-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidine
CID 97521243
N-(2-(2-phenylmorpholino)ethyl)thiophene-2-sulfonamide
CID 16892676
N-(3-(2-phenylmorpholino)propyl)thiophene-2-sulfonamide
CID 16892763
2-Phenyl-4-(thiophen-2-ylsulfonyl)morpholine
CID 16895228
4-((5-Ethylthiophen-2-yl)sulfonyl)-2-phenylmorpholine
CID 16895262
4-[(4-Methyl-2-thienyl)sulfonyl]-2-(2-phenylethyl)morpholine
CID 45177603
(2R)-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 25281404
2-(4-Fluorobenzyl)-4-[(5-methyl-2-thienyl)sulfonyl]morpholine
CID 45232247
2-(3-Fluorobenzyl)-4-(2-thienylmethyl)morpholine
CID 50973645
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide
CID 112406705
N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide
CID 140032412

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine (CID 45216431) is 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine is O=S(=O)(c1cccs1)N1CCOC(Cc2cccc(F)c2)C1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine?
The InChIKey is ODHYCOMIMMSADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S2/c16-13-4-1-3-12(9-13)10-14-11-17(6-7-20-14)22(18,19)15-5-2-8-21-15/h1-5,8-9,14H,6-7,10-11H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine?
2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine has a molecular weight of 341.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylmorpholine is sourced from PubChem (CID 45216431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).