pyridine-4-carboxamide;4-sulfamoylbenzoic acid

C13H13N3O5S — CID 139186564

IUPACpyridine-4-carboxamide;4-sulfamoylbenzoic acid
SMILESNC(=O)c1ccncc1.NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO4S.C6H6N2O/c8-13(11,12)6-3-1-5(2-4-6)7(9)10;7-6(9)5-1-3-8-4-2-5/h1-4H,(H,9,10)(H2,8,11,12);1-4H,(H2,7,9)
InChIKeyGXINOHSJMCSUNT-UHFFFAOYSA-N
MW323.33 g/mol
LogP0.21
Rot. Bonds3

About pyridine-4-carboxamide;4-sulfamoylbenzoic acid

pyridine-4-carboxamide;4-sulfamoylbenzoic acid (PubChem CID 139186564) has the molecular formula C13H13N3O5S and a molecular weight of 323.33 g/mol. Its IUPAC name is pyridine-4-carboxamide;4-sulfamoylbenzoic acid.

Molecular Properties

Compound Namepyridine-4-carboxamide;4-sulfamoylbenzoic acid
PubChem CID139186564
Molecular FormulaC13H13N3O5S
Molecular Weight323.33 g/mol
Exact Mass323.06
IUPAC Namepyridine-4-carboxamide;4-sulfamoylbenzoic acid
SMILESNC(=O)c1ccncc1.NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO4S.C6H6N2O/c8-13(11,12)6-3-1-5(2-4-6)7(9)10;7-6(9)5-1-3-8-4-2-5/h1-4H,(H,9,10)(H2,8,11,12);1-4H,(H2,7,9)
InChIKeyGXINOHSJMCSUNT-UHFFFAOYSA-N
XLogP0.21
TPSA153.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(pyridine-4-carbonyl)benzenesulfonamide
CID 23274879
copper;bis(4-fluorobenzoate);4-fluorobenzoic acid;bis(pyridine-4-carboxamide)
CID 139081538
benzamide;pyridine-4-carboxamide
CID 175267661
pyridine;pyridine-4-carboxamide
CID 70513287
hydrazine;pyridine-4-carboxamide;hydrate
CID 170336563
pyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid
CID 139186567
4-(2,2-dimethylpropanoyl)benzenesulfonamide;4-sulfamoylbenzoic acid
CID 159148470
propan-2-one;pyridine-4-carboxamide
CID 174689468
copper;acetic acid;bis(pyridine-4-carboxamide);diacetate
CID 139155367
4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid
CID 122194782
4-(N-(4-sulfamoylphenyl)anilino)benzoic acid
CID 174477700
(4-sulfamoylphenyl)methyl pyridine-4-carboxylate
CID 4114283

Frequently Asked Questions

What is the IUPAC name of pyridine-4-carboxamide;4-sulfamoylbenzoic acid?
The IUPAC name of pyridine-4-carboxamide;4-sulfamoylbenzoic acid (CID 139186564) is pyridine-4-carboxamide;4-sulfamoylbenzoic acid.
What is the SMILES notation for pyridine-4-carboxamide;4-sulfamoylbenzoic acid?
The canonical SMILES for pyridine-4-carboxamide;4-sulfamoylbenzoic acid is NC(=O)c1ccncc1.NS(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of pyridine-4-carboxamide;4-sulfamoylbenzoic acid?
The InChIKey is GXINOHSJMCSUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4S.C6H6N2O/c8-13(11,12)6-3-1-5(2-4-6)7(9)10;7-6(9)5-1-3-8-4-2-5/h1-4H,(H,9,10)(H2,8,11,12);1-4H,(H2,7,9).
What are the key properties of pyridine-4-carboxamide;4-sulfamoylbenzoic acid?
pyridine-4-carboxamide;4-sulfamoylbenzoic acid has a molecular weight of 323.33 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-4-carboxamide;4-sulfamoylbenzoic acid is sourced from PubChem (CID 139186564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).