2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride

C17H12ClN3O4S — CID 54227109

IUPAC2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(-c2cccc(NS(=O)(=O)c3cccnc3)c2)[nH]c1=O
InChIInChI=1S/C17H12ClN3O4S/c18-16(22)14-6-7-15(20-17(14)23)11-3-1-4-12(9-11)21-26(24,25)13-5-2-8-19-10-13/h1-10,21H,(H,20,23)
InChIKeyQGPWKARWCWWBFJ-UHFFFAOYSA-N
MW389.82 g/mol
LogP2.62
Rot. Bonds5

About 2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride

2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride (PubChem CID 54227109) has the molecular formula C17H12ClN3O4S and a molecular weight of 389.82 g/mol. Its IUPAC name is 2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride
PubChem CID54227109
Molecular FormulaC17H12ClN3O4S
Molecular Weight389.82 g/mol
Exact Mass389.02
IUPAC Name2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(-c2cccc(NS(=O)(=O)c3cccnc3)c2)[nH]c1=O
InChIInChI=1S/C17H12ClN3O4S/c18-16(22)14-6-7-15(20-17(14)23)11-3-1-4-12(9-11)21-26(24,25)13-5-2-8-19-10-13/h1-10,21H,(H,20,23)
InChIKeyQGPWKARWCWWBFJ-UHFFFAOYSA-N
XLogP2.62
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.82
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid
CID 22750275
1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid
CID 88747393
N-[3-(benzenesulfonamido)phenyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 60514402
N-[3-(pyridin-3-ylsulfonylamino)phenyl]acetamide
CID 110865862
N-(3-iodophenyl)pyridine-3-sulfonamide
CID 61400317
4-[5-(chloromethyl)-6-oxo-1H-pyridin-2-yl]-N-pyridin-3-ylbenzenesulfonamide
CID 22750321
2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid
CID 115296023
N-[3-[5-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyridine-3-sulfonamide
CID 66646848
N-(3-pyrrolidin-1-ylphenyl)pyridine-3-sulfonamide
CID 75370822
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-sulfonamide
CID 7151318
N-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide
CID 153033786
N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide
CID 118572860

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride (CID 54227109) is 2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1ccc(-c2cccc(NS(=O)(=O)c3cccnc3)c2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride?
The InChIKey is QGPWKARWCWWBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O4S/c18-16(22)14-6-7-15(20-17(14)23)11-3-1-4-12(9-11)21-26(24,25)13-5-2-8-19-10-13/h1-10,21H,(H,20,23).
What are the key properties of 2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride?
2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride has a molecular weight of 389.82 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 54227109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).