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

C19H18N2O6S — CID 24852010

IUPACN-(1-hydroxy-2-oxo-3-pyridinyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)N(C)c3cccn(O)c3=O)cc2)cc1
InChIInChI=1S/C19H18N2O6S/c1-20(18-4-3-13-21(23)19(18)22)28(24,25)17-11-9-16(10-12-17)27-15-7-5-14(26-2)6-8-15/h3-13,23H,1-2H3
InChIKeyWIAJGSYMEDWMGP-UHFFFAOYSA-N
MW402.43 g/mol
LogP2.71
Rot. Bonds6

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

N-(1-hydroxy-2-oxo-3-pyridinyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide (PubChem CID 24852010) has the molecular formula C19H18N2O6S and a molecular weight of 402.43 g/mol. Its IUPAC name is N-(1-hydroxy-2-oxo-3-pyridinyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-oxo-3-pyridinyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
PubChem CID24852010
Molecular FormulaC19H18N2O6S
Molecular Weight402.43 g/mol
Exact Mass402.09
IUPAC NameN-(1-hydroxy-2-oxo-3-pyridinyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)N(C)c3cccn(O)c3=O)cc2)cc1
InChIInChI=1S/C19H18N2O6S/c1-20(18-4-3-13-21(23)19(18)22)28(24,25)17-11-9-16(10-12-17)27-15-7-5-14(26-2)6-8-15/h3-13,23H,1-2H3
InChIKeyWIAJGSYMEDWMGP-UHFFFAOYSA-N
XLogP2.71
TPSA98.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-(1-hydroxy-2-oxo-3-pyridinyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-2-oxo-3-pyridinyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide (CID 24852010) is N-(1-hydroxy-2-oxo-3-pyridinyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-oxo-3-pyridinyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-2-oxo-3-pyridinyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide is COc1ccc(Oc2ccc(S(=O)(=O)N(C)c3cccn(O)c3=O)cc2)cc1.
What is the InChIKey of N-(1-hydroxy-2-oxo-3-pyridinyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide?
The InChIKey is WIAJGSYMEDWMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6S/c1-20(18-4-3-13-21(23)19(18)22)28(24,25)17-11-9-16(10-12-17)27-15-7-5-14(26-2)6-8-15/h3-13,23H,1-2H3.
What are the key properties of N-(1-hydroxy-2-oxo-3-pyridinyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide?
N-(1-hydroxy-2-oxo-3-pyridinyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide has a molecular weight of 402.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-oxo-3-pyridinyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 24852010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).