6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid

C11H16N2O5S — CID 66090839

IUPAC6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCC(CCO)CNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H16N2O5S/c1-8(4-5-14)6-13-19(17,18)10-3-2-9(7-12-10)11(15)16/h2-3,7-8,13-14H,4-6H2,1H3,(H,15,16)
InChIKeyUTMOFMRLVLBDAZ-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.08
Rot. Bonds7

About 6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid

6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 66090839) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID66090839
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCC(CCO)CNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H16N2O5S/c1-8(4-5-14)6-13-19(17,18)10-3-2-9(7-12-10)11(15)16/h2-3,7-8,13-14H,4-6H2,1H3,(H,15,16)
InChIKeyUTMOFMRLVLBDAZ-UHFFFAOYSA-N
XLogP0.08
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106156055
6-[(2-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 107151272
6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106142679
6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid
CID 79538530
6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
CID 107848275
6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 63872779
3-[(4-hydroxy-2-methylbutyl)sulfamoyl]-4-methoxybenzoic acid
CID 66091999
6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106275719
6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid
CID 106334984
6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 114331356
6-[(2-hydroxy-2-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106290912

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid (CID 66090839) is 6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid is CC(CCO)CNS(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is UTMOFMRLVLBDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-8(4-5-14)6-13-19(17,18)10-3-2-9(7-12-10)11(15)16/h2-3,7-8,13-14H,4-6H2,1H3,(H,15,16).
What are the key properties of 6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 66090839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).