N-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide

C19H15ClFN3O3S — CID 90343124

IUPACN-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C19H15ClFN3O3S/c1-24(16-8-6-15(21)7-9-16)28(26,27)17-4-2-3-13(11-17)19(25)23-18-10-5-14(20)12-22-18/h2-12H,1H3,(H,22,23,25)
InChIKeyDRISSEPTZDJIKC-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.95
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide

N-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide (PubChem CID 90343124) has the molecular formula C19H15ClFN3O3S and a molecular weight of 419.87 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide
PubChem CID90343124
Molecular FormulaC19H15ClFN3O3S
Molecular Weight419.87 g/mol
Exact Mass419.05
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C19H15ClFN3O3S/c1-24(16-8-6-15(21)7-9-16)28(26,27)17-4-2-3-13(11-17)19(25)23-18-10-5-14(20)12-22-18/h2-12H,1H3,(H,22,23,25)
InChIKeyDRISSEPTZDJIKC-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 N-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide (CID 90343124) is N-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide is CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The InChIKey is DRISSEPTZDJIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3S/c1-24(16-8-6-15(21)7-9-16)28(26,27)17-4-2-3-13(11-17)19(25)23-18-10-5-14(20)12-22-18/h2-12H,1H3,(H,22,23,25).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
N-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide 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 N-(5-chloro-2-pyridinyl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 90343124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).