N-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide

C13H14N2O4S — CID 43629460

IUPACN-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCC(O)c2ccccc2)c[nH]1
InChIInChI=1S/C13H14N2O4S/c16-12(10-4-2-1-3-5-10)9-15-20(18,19)11-6-7-13(17)14-8-11/h1-8,12,15-16H,9H2,(H,14,17)
InChIKeyODUDAMJPIHAHGE-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.39
Rot. Bonds5

About N-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629460) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629460
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC NameN-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCC(O)c2ccccc2)c[nH]1
InChIInChI=1S/C13H14N2O4S/c16-12(10-4-2-1-3-5-10)9-15-20(18,19)11-6-7-13(17)14-8-11/h1-8,12,15-16H,9H2,(H,14,17)
InChIKeyODUDAMJPIHAHGE-UHFFFAOYSA-N
XLogP0.39
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 43629460) is N-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)NCC(O)c2ccccc2)c[nH]1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is ODUDAMJPIHAHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c16-12(10-4-2-1-3-5-10)9-15-20(18,19)11-6-7-13(17)14-8-11/h1-8,12,15-16H,9H2,(H,14,17).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 294.33 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).