1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide

C19H15ClFN3O4S — CID 16825029

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)cc1
InChIInChI=1S/C19H15ClFN3O4S/c20-16-2-1-3-17(21)15(16)11-24-10-12(4-9-18(24)25)19(26)23-13-5-7-14(8-6-13)29(22,27)28/h1-10H,11H2,(H,23,26)(H2,22,27,28)
InChIKeyAWYQLOVWXSESFA-UHFFFAOYSA-N
MW435.86 g/mol
LogP2.59
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide (PubChem CID 16825029) has the molecular formula C19H15ClFN3O4S and a molecular weight of 435.86 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
PubChem CID16825029
Molecular FormulaC19H15ClFN3O4S
Molecular Weight435.86 g/mol
Exact Mass435.05
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)cc1
InChIInChI=1S/C19H15ClFN3O4S/c20-16-2-1-3-17(21)15(16)11-24-10-12(4-9-18(24)25)19(26)23-13-5-7-14(8-6-13)29(22,27)28/h1-10H,11H2,(H,23,26)(H2,22,27,28)
InChIKeyAWYQLOVWXSESFA-UHFFFAOYSA-N
XLogP2.59
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.86
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide (CID 16825029) is 1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)cc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
The InChIKey is AWYQLOVWXSESFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O4S/c20-16-2-1-3-17(21)15(16)11-24-10-12(4-9-18(24)25)19(26)23-13-5-7-14(8-6-13)29(22,27)28/h1-10H,11H2,(H,23,26)(H2,22,27,28).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide has a molecular weight of 435.86 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 16825029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).