6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid

C11H14N2O6S — CID 63643110

IUPAC6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCOC(=O)CCCS(=O)(=O)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C11H14N2O6S/c1-19-10(14)6-3-7-20(17,18)13-9-5-2-4-8(12-9)11(15)16/h2,4-5H,3,6-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyOVKXAYVHASFSKG-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.47
Rot. Bonds7

About 6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid

6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid (PubChem CID 63643110) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid
PubChem CID63643110
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCOC(=O)CCCS(=O)(=O)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C11H14N2O6S/c1-19-10(14)6-3-7-20(17,18)13-9-5-2-4-8(12-9)11(15)16/h2,4-5H,3,6-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyOVKXAYVHASFSKG-UHFFFAOYSA-N
XLogP0.47
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63642577
methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate
CID 61460236
2-fluoro-6-[(4-methoxy-4-oxobutyl)sulfonylamino]benzoic acid
CID 61457587
6-(3-methoxy-3-oxopropyl)sulfanylpyridine-2-carboxylic acid
CID 60730616
methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate
CID 61457533
methyl 4-[(2-hydroxy-6-methoxyphenyl)sulfamoyl]butanoate
CID 114764729
methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate
CID 54952273
methyl 4-[(2-methylsulfanylphenyl)sulfamoyl]butanoate
CID 61460153
methyl 4-[(3-sulfamoylphenyl)sulfamoyl]butanoate
CID 61457458
methyl 4-[(3-formylphenyl)sulfamoyl]butanoate
CID 106913005
4-hydroxy-3-[(4-methoxy-4-oxobutyl)sulfonylamino]benzoic acid
CID 107264897
methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate
CID 79734705

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid (CID 63643110) is 6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid is COC(=O)CCCS(=O)(=O)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid?
The InChIKey is OVKXAYVHASFSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-19-10(14)6-3-7-20(17,18)13-9-5-2-4-8(12-9)11(15)16/h2,4-5H,3,6-7H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid?
6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63643110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).