2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide

C20H24FN3O4S — CID 55604676

IUPAC2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H24FN3O4S/c1-14(2)23-29(26,27)15-7-8-17(21)16(13-15)20(25)22-18-5-3-4-6-19(18)24-9-11-28-12-10-24/h3-8,13-14,23H,9-12H2,1-2H3,(H,22,25)
InChIKeyTYAKJXDROJUMAF-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.60
Rot. Bonds6

About 2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide

2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55604676) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is 2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID55604676
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC Name2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H24FN3O4S/c1-14(2)23-29(26,27)15-7-8-17(21)16(13-15)20(25)22-18-5-3-4-6-19(18)24-9-11-28-12-10-24/h3-8,13-14,23H,9-12H2,1-2H3,(H,22,25)
InChIKeyTYAKJXDROJUMAF-UHFFFAOYSA-N
XLogP2.60
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 78803357
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 38282657
2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 1486987
N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 55363787
N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 39130389
3-[(2-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052916
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
methyl 3-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 55516935
1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110425327
2,5-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55375411
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide (CID 55604676) is 2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is TYAKJXDROJUMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-14(2)23-29(26,27)15-7-8-17(21)16(13-15)20(25)22-18-5-3-4-6-19(18)24-9-11-28-12-10-24/h3-8,13-14,23H,9-12H2,1-2H3,(H,22,25).
What are the key properties of 2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide?
2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 421.49 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55604676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).