1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid

C17H12ClN3O5S — CID 88747393

IUPAC1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(NS(=O)(=O)c3cccnc3)c2)n(Cl)c1=O
InChIInChI=1S/C17H12ClN3O5S/c18-21-15(7-6-14(16(21)22)17(23)24)11-3-1-4-12(9-11)20-27(25,26)13-5-2-8-19-10-13/h1-10,20H,(H,23,24)
InChIKeyVHHBLFMENJAFRR-UHFFFAOYSA-N
MW405.82 g/mol
LogP2.41
Rot. Bonds5

About 1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid

1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid (PubChem CID 88747393) has the molecular formula C17H12ClN3O5S and a molecular weight of 405.82 g/mol. Its IUPAC name is 1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid
PubChem CID88747393
Molecular FormulaC17H12ClN3O5S
Molecular Weight405.82 g/mol
Exact Mass405.02
IUPAC Name1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(NS(=O)(=O)c3cccnc3)c2)n(Cl)c1=O
InChIInChI=1S/C17H12ClN3O5S/c18-21-15(7-6-14(16(21)22)17(23)24)11-3-1-4-12(9-11)20-27(25,26)13-5-2-8-19-10-13/h1-10,20H,(H,23,24)
InChIKeyVHHBLFMENJAFRR-UHFFFAOYSA-N
XLogP2.41
TPSA118.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.82
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride
CID 54227109
2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid
CID 115296023
N-[3-(pyridin-3-ylsulfonylamino)phenyl]acetamide
CID 110865862
N-(3-pyrrolidin-1-ylphenyl)pyridine-3-sulfonamide
CID 75370822
N-(3-iodophenyl)pyridine-3-sulfonamide
CID 61400317
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide
CID 16873759
2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid
CID 22750275
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-sulfonamide
CID 7151318
N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide
CID 16873567
3-chloro-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873794
N-(6-phenylpyridazin-3-yl)pyridine-3-sulfonamide
CID 86806095
N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 25048223

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid (CID 88747393) is 1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cccc(NS(=O)(=O)c3cccnc3)c2)n(Cl)c1=O.
What is the InChIKey of 1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid?
The InChIKey is VHHBLFMENJAFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O5S/c18-21-15(7-6-14(16(21)22)17(23)24)11-3-1-4-12(9-11)20-27(25,26)13-5-2-8-19-10-13/h1-10,20H,(H,23,24).
What are the key properties of 1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid?
1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid has a molecular weight of 405.82 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 88747393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).