N-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide

C18H14ClFN4O3S — CID 90342691

IUPACN-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C18H14ClFN4O3S/c1-24(14-7-5-13(20)6-8-14)28(26,27)15-4-2-3-12(11-15)18(25)21-17-10-9-16(19)22-23-17/h2-11H,1H3,(H,21,23,25)
InChIKeyUPXDWPRWANFGEQ-UHFFFAOYSA-N
MW420.85 g/mol
LogP3.35
Rot. Bonds5

About N-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide

N-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide (PubChem CID 90342691) has the molecular formula C18H14ClFN4O3S and a molecular weight of 420.85 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide
PubChem CID90342691
Molecular FormulaC18H14ClFN4O3S
Molecular Weight420.85 g/mol
Exact Mass420.05
IUPAC NameN-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C18H14ClFN4O3S/c1-24(14-7-5-13(20)6-8-14)28(26,27)15-4-2-3-12(11-15)18(25)21-17-10-9-16(19)22-23-17/h2-11H,1H3,(H,21,23,25)
InChIKeyUPXDWPRWANFGEQ-UHFFFAOYSA-N
XLogP3.35
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide (CID 90342691) is N-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide is CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)nn2)c1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The InChIKey is UPXDWPRWANFGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O3S/c1-24(14-7-5-13(20)6-8-14)28(26,27)15-4-2-3-12(11-15)18(25)21-17-10-9-16(19)22-23-17/h2-11H,1H3,(H,21,23,25).
What are the key properties of N-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
N-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide has a molecular weight of 420.85 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 90342691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).