6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid

C12H16N2O6S — CID 64577123

IUPAC6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCCOC(=O)CCCNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O6S/c1-2-20-11(15)4-3-7-14-21(18,19)10-6-5-9(8-13-10)12(16)17/h5-6,8,14H,2-4,7H2,1H3,(H,16,17)
InChIKeyNYRFKADUAZGIBJ-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.40
Rot. Bonds8

About 6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid

6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 64577123) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is 6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID64577123
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCCOC(=O)CCCNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O6S/c1-2-20-11(15)4-3-7-14-21(18,19)10-6-5-9(8-13-10)12(16)17/h5-6,8,14H,2-4,7H2,1H3,(H,16,17)
InChIKeyNYRFKADUAZGIBJ-UHFFFAOYSA-N
XLogP0.40
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872614
6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid
CID 79538530
6-(4-methylsulfanylbutylsulfamoyl)pyridine-3-carboxylic acid
CID 113487300
6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106156055
6-(hex-5-ynylsulfamoyl)pyridine-3-carboxylic acid
CID 106209006
6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid
CID 106334984
6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106275719
6-[(2-hydroxy-2-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106290912
ethyl 4-[(4-carbamothioylphenyl)sulfonylamino]butanoate
CID 64576394
ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate
CID 134061973
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106142679

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid (CID 64577123) is 6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid is CCOC(=O)CCCNS(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is NYRFKADUAZGIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-2-20-11(15)4-3-7-14-21(18,19)10-6-5-9(8-13-10)12(16)17/h5-6,8,14H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 64577123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).