N-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide

C19H15ClFN3O3S — CID 5072687

IUPACN-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)NCc2cccnc2)c1
InChIInChI=1S/C19H15ClFN3O3S/c20-15-4-1-5-16(10-15)24-19(25)14-6-7-17(21)18(9-14)28(26,27)23-12-13-3-2-8-22-11-13/h1-11,23H,12H2,(H,24,25)
InChIKeyNPEYKKPRQOFFDQ-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.60
Rot. Bonds6

About N-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide

N-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide (PubChem CID 5072687) has the molecular formula C19H15ClFN3O3S and a molecular weight of 419.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide
PubChem CID5072687
Molecular FormulaC19H15ClFN3O3S
Molecular Weight419.87 g/mol
Exact Mass419.05
IUPAC NameN-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)NCc2cccnc2)c1
InChIInChI=1S/C19H15ClFN3O3S/c20-15-4-1-5-16(10-15)24-19(25)14-6-7-17(21)18(9-14)28(26,27)23-12-13-3-2-8-22-11-13/h1-11,23H,12H2,(H,24,25)
InChIKeyNPEYKKPRQOFFDQ-UHFFFAOYSA-N
XLogP3.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide (CID 5072687) is N-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)NCc2cccnc2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide?
The InChIKey is NPEYKKPRQOFFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3S/c20-15-4-1-5-16(10-15)24-19(25)14-6-7-17(21)18(9-14)28(26,27)23-12-13-3-2-8-22-11-13/h1-11,23H,12H2,(H,24,25).
What are the key properties of N-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide?
N-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide has a molecular weight of 419.87 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-fluoro-3-(pyridin-3-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 5072687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).