5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid

C14H12N2O6S — CID 19928409

IUPAC5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C14H12N2O6S/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)
InChIKeyYRMQBYJRBZKYGC-UHFFFAOYSA-N
MW336.33 g/mol
LogP0.91
Rot. Bonds5

About 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid

5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 19928409) has the molecular formula C14H12N2O6S and a molecular weight of 336.33 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID19928409
Molecular FormulaC14H12N2O6S
Molecular Weight336.33 g/mol
Exact Mass336.04
IUPAC Name5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C14H12N2O6S/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)
InChIKeyYRMQBYJRBZKYGC-UHFFFAOYSA-N
XLogP0.91
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163
5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19970342
N-(4-aminophenyl)sulfonyl-4-methoxybenzamide
CID 90673049
pentan-3-yl 5-[[4-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54157446
5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 54564954
(4-methoxyphenyl)methyl 5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928143
methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928397
2-methylpropyl 5-[[4-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54366060
5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928149
6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid
CID 167976818
5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928233
4-methoxy-N-[4-(phenylcarbamothioylamino)phenyl]sulfonylbenzamide
CID 22921499

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid (CID 19928409) is 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid is COc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)O)nc2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is YRMQBYJRBZKYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6S/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).
What are the key properties of 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid?
5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 336.33 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 19928409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).