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

C17H15ClFN3O4S — CID 30869350

IUPAC6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
SMILESCc1cc(N(CCOc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)nc2)no1
InChIInChI=1S/C17H15ClFN3O4S/c1-12-10-17(21-26-12)22(8-9-25-14-4-2-13(19)3-5-14)27(23,24)15-6-7-16(18)20-11-15/h2-7,10-11H,8-9H2,1H3
InChIKeyGCCGYNGXBQNSFZ-UHFFFAOYSA-N
MW411.84 g/mol
LogP3.44
Rot. Bonds7

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

6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide (PubChem CID 30869350) has the molecular formula C17H15ClFN3O4S and a molecular weight of 411.84 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
PubChem CID30869350
Molecular FormulaC17H15ClFN3O4S
Molecular Weight411.84 g/mol
Exact Mass411.05
IUPAC Name6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
SMILESCc1cc(N(CCOc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)nc2)no1
InChIInChI=1S/C17H15ClFN3O4S/c1-12-10-17(21-26-12)22(8-9-25-14-4-2-13(19)3-5-14)27(23,24)15-6-7-16(18)20-11-15/h2-7,10-11H,8-9H2,1H3
InChIKeyGCCGYNGXBQNSFZ-UHFFFAOYSA-N
XLogP3.44
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.84
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-fluorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide (CID 30869350) is 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide is Cc1cc(N(CCOc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)nc2)no1.
What is the InChIKey of 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The InChIKey is GCCGYNGXBQNSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O4S/c1-12-10-17(21-26-12)22(8-9-25-14-4-2-13(19)3-5-14)27(23,24)15-6-7-16(18)20-11-15/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide has a molecular weight of 411.84 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 30869350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).