N-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide

C22H23FN4O3S — CID 70905301

IUPACN-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide
SMILESCC(C)(N)c1cc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1F
InChIInChI=1S/C22H23FN4O3S/c1-22(2,24)18-13-15(6-11-19(18)23)14-26-21(28)16-7-9-17(10-8-16)31(29,30)27-20-5-3-4-12-25-20/h3-13H,14,24H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyYEXXLJPJLLTHHK-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.15
Rot. Bonds7

About N-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide

N-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide (PubChem CID 70905301) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide
PubChem CID70905301
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC NameN-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide
SMILESCC(C)(N)c1cc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1F
InChIInChI=1S/C22H23FN4O3S/c1-22(2,24)18-13-15(6-11-19(18)23)14-26-21(28)16-7-9-17(10-8-16)31(29,30)27-20-5-3-4-12-25-20/h3-13H,14,24H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyYEXXLJPJLLTHHK-UHFFFAOYSA-N
XLogP3.15
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060863
N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488149
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 5073703
4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 4882339
4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414636
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646
4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 3809998
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2487545
N-[(3,5-difluorophenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 37391318
N-[[4-chloro-3-(2-cyanopropan-2-yl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 45137461
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 55678008

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide (CID 70905301) is N-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide is CC(C)(N)c1cc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1F.
What is the InChIKey of N-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide?
The InChIKey is YEXXLJPJLLTHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-22(2,24)18-13-15(6-11-19(18)23)14-26-21(28)16-7-9-17(10-8-16)31(29,30)27-20-5-3-4-12-25-20/h3-13H,14,24H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide?
N-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide has a molecular weight of 442.52 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 70905301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).