2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide

C20H17ClFN3O3S — CID 24981186

IUPAC2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)n1
InChIInChI=1S/C20H17ClFN3O3S/c1-13-4-3-5-19(23-13)24-20(26)17-12-16(10-11-18(17)21)29(27,28)25(2)15-8-6-14(22)7-9-15/h3-12H,1-2H3,(H,23,24,26)
InChIKeyMWJULBGGWNVJER-UHFFFAOYSA-N
MW433.89 g/mol
LogP4.26
Rot. Bonds5

About 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide

2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 24981186) has the molecular formula C20H17ClFN3O3S and a molecular weight of 433.89 g/mol. Its IUPAC name is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID24981186
Molecular FormulaC20H17ClFN3O3S
Molecular Weight433.89 g/mol
Exact Mass433.07
IUPAC Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)n1
InChIInChI=1S/C20H17ClFN3O3S/c1-13-4-3-5-19(23-13)24-20(26)17-12-16(10-11-18(17)21)29(27,28)25(2)15-8-6-14(22)7-9-15/h3-12H,1-2H3,(H,23,24,26)
InChIKeyMWJULBGGWNVJER-UHFFFAOYSA-N
XLogP4.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 54.26
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-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide (CID 24981186) is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)n1.
What is the InChIKey of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is MWJULBGGWNVJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3S/c1-13-4-3-5-19(23-13)24-20(26)17-12-16(10-11-18(17)21)29(27,28)25(2)15-8-6-14(22)7-9-15/h3-12H,1-2H3,(H,23,24,26).
What are the key properties of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide?
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 433.89 g/mol, XLogP of 4.26, 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-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 24981186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).