4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

C17H17FN2O4S — CID 2280528

IUPAC4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O4S/c18-14-3-1-13(2-4-14)17(21)19-15-5-7-16(8-6-15)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyVWYSTCTWWRJGGG-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.10
Rot. Bonds4

About 4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 2280528) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID2280528
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O4S/c18-14-3-1-13(2-4-14)17(21)19-15-5-7-16(8-6-15)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyVWYSTCTWWRJGGG-UHFFFAOYSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 2280528) is 4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is VWYSTCTWWRJGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c18-14-3-1-13(2-4-14)17(21)19-15-5-7-16(8-6-15)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21).
What are the key properties of 4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 364.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 2280528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).