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

C18H14Cl2N4O3S — CID 90343001

IUPAC3-[(4-chlorophenyl)-methylsulfamoyl]-N-(6-chloropyridazin-3-yl)benzamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C18H14Cl2N4O3S/c1-24(14-7-5-13(19)6-8-14)28(26,27)15-4-2-3-12(11-15)18(25)21-17-10-9-16(20)22-23-17/h2-11H,1H3,(H,21,23,25)
InChIKeyVBWDRCKNBQGDAI-UHFFFAOYSA-N
MW437.31 g/mol
LogP3.86
Rot. Bonds5

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

3-[(4-chlorophenyl)-methylsulfamoyl]-N-(6-chloropyridazin-3-yl)benzamide (PubChem CID 90343001) has the molecular formula C18H14Cl2N4O3S and a molecular weight of 437.31 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(6-chloropyridazin-3-yl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-methylsulfamoyl]-N-(6-chloropyridazin-3-yl)benzamide
PubChem CID90343001
Molecular FormulaC18H14Cl2N4O3S
Molecular Weight437.31 g/mol
Exact Mass436.02
IUPAC Name3-[(4-chlorophenyl)-methylsulfamoyl]-N-(6-chloropyridazin-3-yl)benzamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C18H14Cl2N4O3S/c1-24(14-7-5-13(19)6-8-14)28(26,27)15-4-2-3-12(11-15)18(25)21-17-10-9-16(20)22-23-17/h2-11H,1H3,(H,21,23,25)
InChIKeyVBWDRCKNBQGDAI-UHFFFAOYSA-N
XLogP3.86
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(6-chloropyridazin-3-yl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(6-chloropyridazin-3-yl)benzamide (CID 90343001) is 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(6-chloropyridazin-3-yl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(6-chloropyridazin-3-yl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(6-chloropyridazin-3-yl)benzamide is CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)nn2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(6-chloropyridazin-3-yl)benzamide?
The InChIKey is VBWDRCKNBQGDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O3S/c1-24(14-7-5-13(19)6-8-14)28(26,27)15-4-2-3-12(11-15)18(25)21-17-10-9-16(20)22-23-17/h2-11H,1H3,(H,21,23,25).
What are the key properties of 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(6-chloropyridazin-3-yl)benzamide?
3-[(4-chlorophenyl)-methylsulfamoyl]-N-(6-chloropyridazin-3-yl)benzamide has a molecular weight of 437.31 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(6-chloropyridazin-3-yl)benzamide is sourced from PubChem (CID 90343001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).