6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid

C12H8N4O4S — CID 63874149

IUPAC6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cn2)nc1
InChIInChI=1S/C12H8N4O4S/c13-5-8-1-3-10(14-6-8)16-21(19,20)11-4-2-9(7-15-11)12(17)18/h1-4,6-7H,(H,14,16)(H,17,18)
InChIKeyMRURDZBCCPMTMF-UHFFFAOYSA-N
MW304.29 g/mol
LogP0.85
Rot. Bonds4

About 6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid

6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63874149) has the molecular formula C12H8N4O4S and a molecular weight of 304.29 g/mol. Its IUPAC name is 6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63874149
Molecular FormulaC12H8N4O4S
Molecular Weight304.29 g/mol
Exact Mass304.03
IUPAC Name6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cn2)nc1
InChIInChI=1S/C12H8N4O4S/c13-5-8-1-3-10(14-6-8)16-21(19,20)11-4-2-9(7-15-11)12(17)18/h1-4,6-7H,(H,14,16)(H,17,18)
InChIKeyMRURDZBCCPMTMF-UHFFFAOYSA-N
XLogP0.85
TPSA133.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid
CID 62353939
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213
6-[(5-cyanothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 106265503
N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide
CID 63687678
6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 115273583
4-[[(5-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 24705789
6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid
CID 55232021
6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872781
6-cyano-N-(5-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 115662563
5-cyano-N-(5-cyano-2-pyridinyl)thiophene-2-sulfonamide
CID 106266766
6-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319210
6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
CID 107848275

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid (CID 63874149) is 6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid is N#Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cn2)nc1.
What is the InChIKey of 6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is MRURDZBCCPMTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O4S/c13-5-8-1-3-10(14-6-8)16-21(19,20)11-4-2-9(7-15-11)12(17)18/h1-4,6-7H,(H,14,16)(H,17,18).
What are the key properties of 6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 304.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63874149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).