6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide

C22H17BrN4O3S — CID 1261827

IUPAC6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc23)cc1
InChIInChI=1S/C22H17BrN4O3S/c1-24-31(29,30)17-7-5-16(6-8-17)26-22(28)19-12-21(14-3-2-10-25-13-14)27-20-9-4-15(23)11-18(19)20/h2-13,24H,1H3,(H,26,28)
InChIKeyGMLXPJJACPUOME-UHFFFAOYSA-N
MW497.37 g/mol
LogP4.22
Rot. Bonds5

About 6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide

6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 1261827) has the molecular formula C22H17BrN4O3S and a molecular weight of 497.37 g/mol. Its IUPAC name is 6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID1261827
Molecular FormulaC22H17BrN4O3S
Molecular Weight497.37 g/mol
Exact Mass496.02
IUPAC Name6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc23)cc1
InChIInChI=1S/C22H17BrN4O3S/c1-24-31(29,30)17-7-5-16(6-8-17)26-22(28)19-12-21(14-3-2-10-25-13-14)27-20-9-4-15(23)11-18(19)20/h2-13,24H,1H3,(H,26,28)
InChIKeyGMLXPJJACPUOME-UHFFFAOYSA-N
XLogP4.22
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 1261827) is 6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc23)cc1.
What is the InChIKey of 6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is GMLXPJJACPUOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O3S/c1-24-31(29,30)17-7-5-16(6-8-17)26-22(28)19-12-21(14-3-2-10-25-13-14)27-20-9-4-15(23)11-18(19)20/h2-13,24H,1H3,(H,26,28).
What are the key properties of 6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 497.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).