sodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate

C14H11N2NaO6S — CID 54587006

IUPACsodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)[O-])nc2)cc1.[Na+]
InChIInChI=1S/C14H12N2O6S.Na/c1-22-10-3-5-11(6-4-10)23(20,21)16-13(17)9-2-7-12(14(18)19)15-8-9;/h2-8H,1H3,(H,16,17)(H,18,19);/q;+1/p-1
InChIKeyBYRPKZYLVKNTGQ-UHFFFAOYSA-M
MW358.31 g/mol
LogP-3.42
Rot. Bonds5

About sodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate

sodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate (PubChem CID 54587006) has the molecular formula C14H11N2NaO6S and a molecular weight of 358.31 g/mol. Its IUPAC name is sodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namesodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate
PubChem CID54587006
Molecular FormulaC14H11N2NaO6S
Molecular Weight358.31 g/mol
Exact Mass358.02
IUPAC Namesodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)[O-])nc2)cc1.[Na+]
InChIInChI=1S/C14H12N2O6S.Na/c1-22-10-3-5-11(6-4-10)23(20,21)16-13(17)9-2-7-12(14(18)19)15-8-9;/h2-8H,1H3,(H,16,17)(H,18,19);/q;+1/p-1
InChIKeyBYRPKZYLVKNTGQ-UHFFFAOYSA-M
XLogP-3.42
TPSA125.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 5-3.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze sodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbamic acid, N-[[3-[(dimethylamino)carbonyl]-2-pyridinyl]sulfonyl]-, phenyl ester
CID 14371344
5-[(4-Methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928409
Pyridine-2-carboxylic acid (4-{[1-(4-methoxy-benzenesulfonyl)-piperidine-3-carbonyl]-amino}-phenyl)-amide
CID 648074
N-(benzenesulfonyl)-N-(4-methoxyphenyl)-3-pyridinecarboxamide
CID 1242547
1-(4-Methoxy-benzenesulfonyl)-4-(pyridine-3-carbonyl)-piperazine-2-carboxylic acid hydroxyamide
CID 10764600
4-methoxy-N-{[1-(3-pyridinylcarbonyl)-3-piperidinyl]methyl}benzenesulfonamide
CID 16187704
Methyl 4-{[(3-methoxyphenyl)methyl]sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 22515690
5-Benzenesulfonylaminocarbonyl-pyridine-2-carboxylic acid
CID 19928174
N-[1-(4-Methoxy-benzenesulfonyl)-piperidin-4-yl]-nicotinamide
CID 17525239
4-methoxy-N-({1-[(2-methyl-3-pyridinyl)carbonyl]-3-piperidinyl}methyl)benzenesulfonamide
CID 16187700
5-(2-Methoxy-phenylcarbamoyl)-pyridine-2-carboxylic acid; Hydrate
CID 15121191
5-(4-Methoxy-phenylcarbamoyl)-pyridine-2-carboxylic acid
CID 15121193

Frequently Asked Questions

What is the IUPAC name of sodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of sodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate (CID 54587006) is sodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for sodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for sodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate is COc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)[O-])nc2)cc1.[Na+].
What is the InChIKey of sodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is BYRPKZYLVKNTGQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12N2O6S.Na/c1-22-10-3-5-11(6-4-10)23(20,21)16-13(17)9-2-7-12(14(18)19)15-8-9;/h2-8H,1H3,(H,16,17)(H,18,19);/q;+1/p-1.
What are the key properties of sodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate?
sodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 358.31 g/mol, XLogP of -3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 54587006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).