2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide

C18H18F2N2O4S — CID 2668611

IUPAC2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C18H18F2N2O4S/c19-14-3-1-13(2-4-14)12-21-18(23)16-11-15(5-6-17(16)20)27(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyUDTGUJDLKAWCIM-UHFFFAOYSA-N
MW396.42 g/mol
LogP1.92
Rot. Bonds5

About 2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide

2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2668611) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2668611
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC Name2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C18H18F2N2O4S/c19-14-3-1-13(2-4-14)12-21-18(23)16-11-15(5-6-17(16)20)27(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyUDTGUJDLKAWCIM-UHFFFAOYSA-N
XLogP1.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide (CID 2668611) is 2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide is O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UDTGUJDLKAWCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c19-14-3-1-13(2-4-14)12-21-18(23)16-11-15(5-6-17(16)20)27(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10,12H2,(H,21,23).
What are the key properties of 2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 396.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2668611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).