N-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide

C11H8ClN3O5S — CID 81422182

IUPACN-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cn1
InChIInChI=1S/C11H8ClN3O5S/c12-8-2-1-3-9(11(8)16)14-21(19,20)7-4-5-10(13-6-7)15(17)18/h1-6,14,16H
InChIKeyAFNDIBBZNZXMNC-UHFFFAOYSA-N
MW329.72 g/mol
LogP2.15
Rot. Bonds4

About N-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide

N-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide (PubChem CID 81422182) has the molecular formula C11H8ClN3O5S and a molecular weight of 329.72 g/mol. Its IUPAC name is N-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide
PubChem CID81422182
Molecular FormulaC11H8ClN3O5S
Molecular Weight329.72 g/mol
Exact Mass328.99
IUPAC NameN-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cn1
InChIInChI=1S/C11H8ClN3O5S/c12-8-2-1-3-9(11(8)16)14-21(19,20)7-4-5-10(13-6-7)15(17)18/h1-6,14,16H
InChIKeyAFNDIBBZNZXMNC-UHFFFAOYSA-N
XLogP2.15
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.72
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 78995718
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
CID 78995732
N-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide
CID 107640867
N-(2-bromo-3-chlorophenyl)-6-chloropyridine-3-sulfonamide
CID 103478832
N-(4-formylphenyl)-6-nitropyridine-3-sulfonamide
CID 106912832
N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide
CID 81433625
5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614097
5-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114613985
N-(3-chloro-2-fluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28969387
N-(2,3-dichlorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62149087
N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide
CID 115643661

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide?
The IUPAC name of N-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide (CID 81422182) is N-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide?
The canonical SMILES for N-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cn1.
What is the InChIKey of N-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide?
The InChIKey is AFNDIBBZNZXMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O5S/c12-8-2-1-3-9(11(8)16)14-21(19,20)7-4-5-10(13-6-7)15(17)18/h1-6,14,16H.
What are the key properties of N-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide?
N-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide has a molecular weight of 329.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide is sourced from PubChem (CID 81422182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).