3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid

C14H14N2O4S — CID 104740639

IUPAC3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C14H14N2O4S/c17-14(18)13-12(7-4-9-15-13)16-21(19,20)10-8-11-5-2-1-3-6-11/h1-7,9,16H,8,10H2,(H,17,18)
InChIKeyHOOVSOVOKGWKLC-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.76
Rot. Bonds6

About 3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid

3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid (PubChem CID 104740639) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid
PubChem CID104740639
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C14H14N2O4S/c17-14(18)13-12(7-4-9-15-13)16-21(19,20)10-8-11-5-2-1-3-6-11/h1-7,9,16H,8,10H2,(H,17,18)
InChIKeyHOOVSOVOKGWKLC-UHFFFAOYSA-N
XLogP1.76
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740614
3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid
CID 113447522
2-(2-phenylethylsulfonylamino)benzamide
CID 110756518
N-(2-iodophenyl)-2-phenylethanesulfonamide
CID 47177540
N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide
CID 114052143
N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide
CID 110715599
3-(propylsulfamoylamino)pyridine-2-carboxylic acid
CID 114807104
3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115778031
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid
CID 43361748
N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide
CID 114294158
N-(2-hydroxy-4-methylphenyl)-2-phenylethanesulfonamide
CID 80686702

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid (CID 104740639) is 3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid is O=C(O)c1ncccc1NS(=O)(=O)CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid?
The InChIKey is HOOVSOVOKGWKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c17-14(18)13-12(7-4-9-15-13)16-21(19,20)10-8-11-5-2-1-3-6-11/h1-7,9,16H,8,10H2,(H,17,18).
What are the key properties of 3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid?
3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104740639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).