6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid

C12H11N3O4S — CID 63872025

IUPAC6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2cccnc2)nc1
InChIInChI=1S/C12H11N3O4S/c16-12(17)10-3-4-11(14-8-10)20(18,19)15-7-9-2-1-5-13-6-9/h1-6,8,15H,7H2,(H,16,17)
InChIKeySRQXRUYZBNGBAU-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.65
Rot. Bonds5

About 6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid

6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid (PubChem CID 63872025) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid
PubChem CID63872025
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2cccnc2)nc1
InChIInChI=1S/C12H11N3O4S/c16-12(17)10-3-4-11(14-8-10)20(18,19)15-7-9-2-1-5-13-6-9/h1-6,8,15H,7H2,(H,16,17)
InChIKeySRQXRUYZBNGBAU-UHFFFAOYSA-N
XLogP0.65
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid
CID 2411456
6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63873154
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
N-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 142724613
6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 66005787
N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060938
N,N-dipropyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060934
N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 1428458
N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109058145
6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
CID 107848275
6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106275719

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid (CID 63872025) is 6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCc2cccnc2)nc1.
What is the InChIKey of 6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid?
The InChIKey is SRQXRUYZBNGBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c16-12(17)10-3-4-11(14-8-10)20(18,19)15-7-9-2-1-5-13-6-9/h1-6,8,15H,7H2,(H,16,17).
What are the key properties of 6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid?
6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid has a molecular weight of 293.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63872025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).