2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide

C22H25F2N3O4S — CID 3951129

IUPAC2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C22H25F2N3O4S/c23-16-4-6-18(19(24)14-16)22(28)25-20-15-17(32(29,30)27-10-12-31-13-11-27)5-7-21(20)26-8-2-1-3-9-26/h4-7,14-15H,1-3,8-13H2,(H,25,28)
InChIKeyYENFKRMGTQQXEO-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.23
Rot. Bonds5

About 2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide

2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide (PubChem CID 3951129) has the molecular formula C22H25F2N3O4S and a molecular weight of 465.52 g/mol. Its IUPAC name is 2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
PubChem CID3951129
Molecular FormulaC22H25F2N3O4S
Molecular Weight465.52 g/mol
Exact Mass465.15
IUPAC Name2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C22H25F2N3O4S/c23-16-4-6-18(19(24)14-16)22(28)25-20-15-17(32(29,30)27-10-12-31-13-11-27)5-7-21(20)26-8-2-1-3-9-26/h4-7,14-15H,1-3,8-13H2,(H,25,28)
InChIKeyYENFKRMGTQQXEO-UHFFFAOYSA-N
XLogP3.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55375411
N-(2,5-difluorophenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 31509173
methyl 3-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 55516935
N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
CID 51182017
N-(3-chloro-2-fluorophenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 43000218
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
CID 166404561
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16546070
N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 2640923
N-(2-fluoro-5-nitrophenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 55363320
2-chloro-5-(diethylsulfamoyl)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3584182
5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 4849644
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide (CID 3951129) is 2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide?
The InChIKey is YENFKRMGTQQXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O4S/c23-16-4-6-18(19(24)14-16)22(28)25-20-15-17(32(29,30)27-10-12-31-13-11-27)5-7-21(20)26-8-2-1-3-9-26/h4-7,14-15H,1-3,8-13H2,(H,25,28).
What are the key properties of 2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide?
2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide has a molecular weight of 465.52 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 3951129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).