6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide

C19H20ClN3O5S — CID 30659195

IUPAC6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
SMILESCCOc1ccc(OCCN(c2cc(C)on2)S(=O)(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C19H20ClN3O5S/c1-3-26-15-4-6-16(7-5-15)27-11-10-23(19-12-14(2)28-22-19)29(24,25)17-8-9-18(20)21-13-17/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyDFNJIHURPIXUCG-UHFFFAOYSA-N
MW437.91 g/mol
LogP3.70
Rot. Bonds9

About 6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide

6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide (PubChem CID 30659195) has the molecular formula C19H20ClN3O5S and a molecular weight of 437.91 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
PubChem CID30659195
Molecular FormulaC19H20ClN3O5S
Molecular Weight437.91 g/mol
Exact Mass437.08
IUPAC Name6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
SMILESCCOc1ccc(OCCN(c2cc(C)on2)S(=O)(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C19H20ClN3O5S/c1-3-26-15-4-6-16(7-5-15)27-11-10-23(19-12-14(2)28-22-19)29(24,25)17-8-9-18(20)21-13-17/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyDFNJIHURPIXUCG-UHFFFAOYSA-N
XLogP3.70
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide (CID 30659195) is 6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide is CCOc1ccc(OCCN(c2cc(C)on2)S(=O)(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The InChIKey is DFNJIHURPIXUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O5S/c1-3-26-15-4-6-16(7-5-15)27-11-10-23(19-12-14(2)28-22-19)29(24,25)17-8-9-18(20)21-13-17/h4-9,12-13H,3,10-11H2,1-2H3.
What are the key properties of 6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide has a molecular weight of 437.91 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 30659195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).