6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid

C15H15N3O5S — CID 10665468

IUPAC6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C15H15N3O5S/c16-24(22,23)11-6-4-10(5-7-11)8-9-17-14(19)12-2-1-3-13(18-12)15(20)21/h1-7H,8-9H2,(H,17,19)(H,20,21)(H2,16,22,23)
InChIKeyNZRRGHGVIJAYDH-UHFFFAOYSA-N
MW349.37 g/mol
LogP0.40
Rot. Bonds6

About 6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid

6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 10665468) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID10665468
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C15H15N3O5S/c16-24(22,23)11-6-4-10(5-7-11)8-9-17-14(19)12-2-1-3-13(18-12)15(20)21/h1-7H,8-9H2,(H,17,19)(H,20,21)(H2,16,22,23)
InChIKeyNZRRGHGVIJAYDH-UHFFFAOYSA-N
XLogP0.40
TPSA139.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(Pyridin-3-ylmethyl)-sulfamoyl]-benzoic acid
CID 764036
6-(2-Fluoro-4-sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid
CID 10497272
6-(4-Sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid
CID 10567759
6-(2-Iodo-4-sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid
CID 10623288
6-(3-Sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid
CID 10687216
6-(4-Sulfamoyl-benzylcarbamoyl)-pyridine-2-carboxylic acid
CID 10759222
6-(2-Sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid
CID 10805708
6-[2-(4-Sulfamoyl-phenyl)-ethoxycarbamoyl]-pyridine-2-carboxylic acid
CID 44322583
6-(4-Sulfamoyl-benzyloxycarbamoyl)-pyridine-2-carboxylic acid
CID 44322584
6-((1-((R)-1-carboxy-2-phenylethylamino)-4-mercapto-1-oxobutan-2-yl)carbamoyl)picolinic acid
CID 44416876
6-((1-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-mercapto-1-oxobutan-2-yl)carbamoyl)picolinic acid
CID 44417193
5-Benzenesulfonylaminocarbonyl-pyridine-2-carboxylic acid
CID 19928174

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid (CID 10665468) is 6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid is NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is NZRRGHGVIJAYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c16-24(22,23)11-6-4-10(5-7-11)8-9-17-14(19)12-2-1-3-13(18-12)15(20)21/h1-7H,8-9H2,(H,17,19)(H,20,21)(H2,16,22,23).
What are the key properties of 6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 349.37 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-sulfamoylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10665468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).