N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide

C19H15F2N3O3S — CID 36900818

IUPACN-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1
InChIInChI=1S/C19H15F2N3O3S/c20-15-9-13(10-16(21)11-15)12-23-19(25)14-1-3-18(4-2-14)28(26,27)24-17-5-7-22-8-6-17/h1-11H,12H2,(H,22,24)(H,23,25)
InChIKeyMZZAMLFNGKDRRI-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.09
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide

N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide (PubChem CID 36900818) has the molecular formula C19H15F2N3O3S and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide
PubChem CID36900818
Molecular FormulaC19H15F2N3O3S
Molecular Weight403.41 g/mol
Exact Mass403.08
IUPAC NameN-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1
InChIInChI=1S/C19H15F2N3O3S/c20-15-9-13(10-16(21)11-15)12-23-19(25)14-1-3-18(4-2-14)28(26,27)24-17-5-7-22-8-6-17/h1-11H,12H2,(H,22,24)(H,23,25)
InChIKeyMZZAMLFNGKDRRI-UHFFFAOYSA-N
XLogP3.09
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109060958
4-[(4-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 18109267
N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778558
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
N-[(3,5-difluorophenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 37391318
4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 18107687
N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide
CID 46386301
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 24980410
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 41262449
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide
CID 60517834

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide (CID 36900818) is N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide is O=C(NCc1cc(F)cc(F)c1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide?
The InChIKey is MZZAMLFNGKDRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3S/c20-15-9-13(10-16(21)11-15)12-23-19(25)14-1-3-18(4-2-14)28(26,27)24-17-5-7-22-8-6-17/h1-11H,12H2,(H,22,24)(H,23,25).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide?
N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide has a molecular weight of 403.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide is sourced from PubChem (CID 36900818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).