2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide

C19H15ClFN3O3S — CID 24982950

IUPAC2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C19H15ClFN3O3S/c1-24(15-4-2-13(21)3-5-15)28(26,27)16-6-7-18(20)17(12-16)19(25)23-14-8-10-22-11-9-14/h2-12H,1H3,(H,22,23,25)
InChIKeySEJRSGXIVRNKKN-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.95
Rot. Bonds5

About 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide

2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide (PubChem CID 24982950) has the molecular formula C19H15ClFN3O3S and a molecular weight of 419.87 g/mol. Its IUPAC name is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide
PubChem CID24982950
Molecular FormulaC19H15ClFN3O3S
Molecular Weight419.87 g/mol
Exact Mass419.05
IUPAC Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C19H15ClFN3O3S/c1-24(15-4-2-13(21)3-5-15)28(26,27)16-6-7-18(20)17(12-16)19(25)23-14-8-10-22-11-9-14/h2-12H,1H3,(H,22,23,25)
InChIKeySEJRSGXIVRNKKN-UHFFFAOYSA-N
XLogP3.95
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide (CID 24982950) is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide is CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccncc2)c1.
What is the InChIKey of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide?
The InChIKey is SEJRSGXIVRNKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3S/c1-24(15-4-2-13(21)3-5-15)28(26,27)16-6-7-18(20)17(12-16)19(25)23-14-8-10-22-11-9-14/h2-12H,1H3,(H,22,23,25).
What are the key properties of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide?
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide has a molecular weight of 419.87 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 24982950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).