4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide

C18H15ClN2O5S — CID 24852048

IUPAC4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide
SMILESCN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
InChIKeyHAPYOOOJPQOLHH-UHFFFAOYSA-N
MW406.85 g/mol
LogP3.36
Rot. Bonds5

About 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide

4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide (PubChem CID 24852048) has the molecular formula C18H15ClN2O5S and a molecular weight of 406.85 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide
PubChem CID24852048
Molecular FormulaC18H15ClN2O5S
Molecular Weight406.85 g/mol
Exact Mass406.04
IUPAC Name4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide
SMILESCN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
InChIKeyHAPYOOOJPQOLHH-UHFFFAOYSA-N
XLogP3.36
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide (CID 24852048) is 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide is CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide?
The InChIKey is HAPYOOOJPQOLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3.
What are the key properties of 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide?
4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide has a molecular weight of 406.85 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 24852048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).