2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide

C23H20FN5O4S — CID 55826797

IUPAC2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C23H20FN5O4S/c24-20-7-6-18(34(31,32)29-10-12-33-13-11-29)14-19(20)22(30)26-17-4-2-16(3-5-17)21-15-28-9-1-8-25-23(28)27-21/h1-9,14-15H,10-13H2,(H,26,30)
InChIKeyOWROBLXXVWUAKW-UHFFFAOYSA-N
MW481.51 g/mol
LogP2.81
Rot. Bonds5

About 2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide

2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55826797) has the molecular formula C23H20FN5O4S and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55826797
Molecular FormulaC23H20FN5O4S
Molecular Weight481.51 g/mol
Exact Mass481.12
IUPAC Name2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C23H20FN5O4S/c24-20-7-6-18(34(31,32)29-10-12-33-13-11-29)14-19(20)22(30)26-17-4-2-16(3-5-17)21-15-28-9-1-8-25-23(28)27-21/h1-9,14-15H,10-13H2,(H,26,30)
InChIKeyOWROBLXXVWUAKW-UHFFFAOYSA-N
XLogP2.81
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide (CID 55826797) is 2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is OWROBLXXVWUAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O4S/c24-20-7-6-18(34(31,32)29-10-12-33-13-11-29)14-19(20)22(30)26-17-4-2-16(3-5-17)21-15-28-9-1-8-25-23(28)27-21/h1-9,14-15H,10-13H2,(H,26,30).
What are the key properties of 2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 481.51 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55826797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).