2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine

C16H18FNO3S2 — CID 45232247

IUPAC2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC(Cc3ccc(F)cc3)C2)s1
InChIInChI=1S/C16H18FNO3S2/c1-12-2-7-16(22-12)23(19,20)18-8-9-21-15(11-18)10-13-3-5-14(17)6-4-13/h2-7,15H,8-11H2,1H3
InChIKeyGYKLSYBJSHXQIL-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.83
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine

2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine (PubChem CID 45232247) has the molecular formula C16H18FNO3S2 and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine
PubChem CID45232247
Molecular FormulaC16H18FNO3S2
Molecular Weight355.46 g/mol
Exact Mass355.07
IUPAC Name2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC(Cc3ccc(F)cc3)C2)s1
InChIInChI=1S/C16H18FNO3S2/c1-12-2-7-16(22-12)23(19,20)18-8-9-21-15(11-18)10-13-3-5-14(17)6-4-13/h2-7,15H,8-11H2,1H3
InChIKeyGYKLSYBJSHXQIL-UHFFFAOYSA-N
XLogP2.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine (CID 45232247) is 2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine is Cc1ccc(S(=O)(=O)N2CCOC(Cc3ccc(F)cc3)C2)s1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine?
The InChIKey is GYKLSYBJSHXQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S2/c1-12-2-7-16(22-12)23(19,20)18-8-9-21-15(11-18)10-13-3-5-14(17)6-4-13/h2-7,15H,8-11H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine?
2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine has a molecular weight of 355.46 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylmorpholine is sourced from PubChem (CID 45232247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).