N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide

C13H14N2O4S — CID 107858285

IUPACN-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H14N2O4S/c1-2-15(10-4-3-5-11(16)8-10)20(18,19)12-6-7-13(17)14-9-12/h3-9,16H,2H2,1H3,(H,14,17)
InChIKeyXKSJIXCTBRBKDQ-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.30
Rot. Bonds4

About N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide

N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 107858285) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID107858285
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC NameN-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H14N2O4S/c1-2-15(10-4-3-5-11(16)8-10)20(18,19)12-6-7-13(17)14-9-12/h3-9,16H,2H2,1H3,(H,14,17)
InChIKeyXKSJIXCTBRBKDQ-UHFFFAOYSA-N
XLogP1.30
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-oxo-N-phenyl-1H-pyridine-3-sulfonamide
CID 829830
4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223865
3-amino-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733553
3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223799
5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 103223838
2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733558
N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223870
N-ethyl-N-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 107736583
5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733551
2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide
CID 103223846
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide
CID 103223825
3-[ethyl-(4-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 54004952

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 107858285) is N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide is CCN(c1cccc(O)c1)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is XKSJIXCTBRBKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-2-15(10-4-3-5-11(16)8-10)20(18,19)12-6-7-13(17)14-9-12/h3-9,16H,2H2,1H3,(H,14,17).
What are the key properties of N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 294.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 107858285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).