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

C14H12N2O6S — CID 19970342

IUPAC5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
SMILESCOc1ccccc1S(=O)(=O)NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H12N2O6S/c1-22-11-4-2-3-5-12(11)23(20,21)16-13(17)9-6-7-10(14(18)19)15-8-9/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyZDHXOVMWHZRLPG-UHFFFAOYSA-N
MW336.33 g/mol
LogP0.91
Rot. Bonds5

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

5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 19970342) has the molecular formula C14H12N2O6S and a molecular weight of 336.33 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID19970342
Molecular FormulaC14H12N2O6S
Molecular Weight336.33 g/mol
Exact Mass336.04
IUPAC Name5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
SMILESCOc1ccccc1S(=O)(=O)NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H12N2O6S/c1-22-11-4-2-3-5-12(11)23(20,21)16-13(17)9-6-7-10(14(18)19)15-8-9/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyZDHXOVMWHZRLPG-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-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928409
5-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121191
5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 54564954
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163
5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928149
N'-(2-methoxyphenyl)sulfonylbenzohydrazide
CID 51170282
5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928233
N-(5-amino-2-methoxyphenyl)sulfonylbenzamide
CID 154261942
5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 63998822
5-[[3-(benzylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 57079415
5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
CID 60769978

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid (CID 19970342) is 5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid is COc1ccccc1S(=O)(=O)NC(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is ZDHXOVMWHZRLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6S/c1-22-11-4-2-3-5-12(11)23(20,21)16-13(17)9-6-7-10(14(18)19)15-8-9/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid?
5-[(2-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-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 19970342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).