2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide

C21H20FN3O3S — CID 1145344

IUPAC2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccncc1
InChIInChI=1S/C21H20FN3O3S/c22-19-6-8-20(9-7-19)29(27,28)25(15-18-4-2-1-3-5-18)16-21(26)24-14-17-10-12-23-13-11-17/h1-13H,14-16H2,(H,24,26)
InChIKeyXOBWNSNGCNNRGB-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.73
Rot. Bonds8

About 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 1145344) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID1145344
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC Name2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccncc1
InChIInChI=1S/C21H20FN3O3S/c22-19-6-8-20(9-7-19)29(27,28)25(15-18-4-2-1-3-5-18)16-21(26)24-14-17-10-12-23-13-11-17/h1-13H,14-16H2,(H,24,26)
InChIKeyXOBWNSNGCNNRGB-UHFFFAOYSA-N
XLogP2.73
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
CID 720106
Sulfonamide deriv., 7i
CID 44520905
(E)-N-[6-[3-[(2-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155537916
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
(E)-N-[6-[3-[(4-fluorophenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155565565
2-[Methyl-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 925262
2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 964127
N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1088545
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 2991744

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (CID 1145344) is 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccncc1.
What is the InChIKey of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is XOBWNSNGCNNRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c22-19-6-8-20(9-7-19)29(27,28)25(15-18-4-2-1-3-5-18)16-21(26)24-14-17-10-12-23-13-11-17/h1-13H,14-16H2,(H,24,26).
What are the key properties of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 413.47 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 1145344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).