6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid

C14H13N3O6S — CID 5263795

IUPAC6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCCN(c1cccc(C(=O)O)n1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O6S/c1-2-16(13-5-3-4-12(15-13)14(18)19)24(22,23)11-8-6-10(7-9-11)17(20)21/h3-9H,2H2,1H3,(H,18,19)
InChIKeyWJKMEBASABZJGL-UHFFFAOYSA-N
MW351.34 g/mol
LogP1.90
Rot. Bonds6

About 6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid

6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid (PubChem CID 5263795) has the molecular formula C14H13N3O6S and a molecular weight of 351.34 g/mol. Its IUPAC name is 6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid
PubChem CID5263795
Molecular FormulaC14H13N3O6S
Molecular Weight351.34 g/mol
Exact Mass351.05
IUPAC Name6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCCN(c1cccc(C(=O)O)n1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O6S/c1-2-16(13-5-3-4-12(15-13)14(18)19)24(22,23)11-8-6-10(7-9-11)17(20)21/h3-9H,2H2,1H3,(H,18,19)
InChIKeyWJKMEBASABZJGL-UHFFFAOYSA-N
XLogP1.90
TPSA130.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid
CID 5263799
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
N-(2,6-dimethylphenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 100525104
ethyl-(4-nitrophenyl)sulfonylcarbamic acid
CID 175264245
N-(4-chlorophenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 86258856
N-(3,5-dimethylphenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 94622914
N-ethyl-N-(3-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 100525748
N-ethyl-N-(2-methyl-5-nitrophenyl)-4-nitrobenzenesulfonamide
CID 100528608
ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100524720
6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid
CID 122052746
N-benzyl-4-nitro-N-pyridin-2-ylbenzenesulfonamide
CID 1087314
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(2R)-butan-2-yl]acetamide
CID 7439020

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid (CID 5263795) is 6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid is CCN(c1cccc(C(=O)O)n1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The InChIKey is WJKMEBASABZJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O6S/c1-2-16(13-5-3-4-12(15-13)14(18)19)24(22,23)11-8-6-10(7-9-11)17(20)21/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid?
6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid has a molecular weight of 351.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 5263795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).