N-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide

C23H24ClN3O6S — CID 24852488

IUPACN-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide
SMILESO=c1c(S(=O)(=O)N(CCN2CCOCC2)c2ccc(Oc3ccc(Cl)cc3)cc2)cccn1O
InChIInChI=1S/C23H24ClN3O6S/c24-18-3-7-20(8-4-18)33-21-9-5-19(6-10-21)27(13-12-25-14-16-32-17-15-25)34(30,31)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2
InChIKeyXTSCHKAZOOPJRC-UHFFFAOYSA-N
MW505.98 g/mol
LogP3.06
Rot. Bonds8

About N-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide

N-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide (PubChem CID 24852488) has the molecular formula C23H24ClN3O6S and a molecular weight of 505.98 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide
PubChem CID24852488
Molecular FormulaC23H24ClN3O6S
Molecular Weight505.98 g/mol
Exact Mass505.11
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide
SMILESO=c1c(S(=O)(=O)N(CCN2CCOCC2)c2ccc(Oc3ccc(Cl)cc3)cc2)cccn1O
InChIInChI=1S/C23H24ClN3O6S/c24-18-3-7-20(8-4-18)33-21-9-5-19(6-10-21)27(13-12-25-14-16-32-17-15-25)34(30,31)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2
InChIKeyXTSCHKAZOOPJRC-UHFFFAOYSA-N
XLogP3.06
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.98
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42700349
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6494069
N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)-4-nitrobenzenesulfonamide
CID 42700351
4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 42698256
4-[benzenesulfonyl(2-morpholin-4-ylethyl)amino]-2-[(2,3-dioxoaziridin-1-yl)amino]benzoic acid
CID 139908592
2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 42705137
4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine
CID 1099236
N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 56586657
4-chloro-N-[(3-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 22137465
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113144868
2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 50944624
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide (CID 24852488) is N-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide is O=c1c(S(=O)(=O)N(CCN2CCOCC2)c2ccc(Oc3ccc(Cl)cc3)cc2)cccn1O.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide?
The InChIKey is XTSCHKAZOOPJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O6S/c24-18-3-7-20(8-4-18)33-21-9-5-19(6-10-21)27(13-12-25-14-16-32-17-15-25)34(30,31)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2.
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide?
N-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide has a molecular weight of 505.98 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide is sourced from PubChem (CID 24852488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).