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

C17H15Cl2N3O4S — CID 30659179

IUPAC6-chloro-N-[2-(3-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
SMILESCc1cc(N(CCOc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)nc2)no1
InChIInChI=1S/C17H15Cl2N3O4S/c1-12-9-17(21-26-12)22(7-8-25-14-4-2-3-13(18)10-14)27(23,24)15-5-6-16(19)20-11-15/h2-6,9-11H,7-8H2,1H3
InChIKeyJTVWJNZETXXSAG-UHFFFAOYSA-N
MW428.30 g/mol
LogP3.96
Rot. Bonds7

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

6-chloro-N-[2-(3-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide (PubChem CID 30659179) has the molecular formula C17H15Cl2N3O4S and a molecular weight of 428.30 g/mol. Its IUPAC name is 6-chloro-N-[2-(3-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-(3-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
PubChem CID30659179
Molecular FormulaC17H15Cl2N3O4S
Molecular Weight428.30 g/mol
Exact Mass427.02
IUPAC Name6-chloro-N-[2-(3-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
SMILESCc1cc(N(CCOc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)nc2)no1
InChIInChI=1S/C17H15Cl2N3O4S/c1-12-9-17(21-26-12)22(7-8-25-14-4-2-3-13(18)10-14)27(23,24)15-5-6-16(19)20-11-15/h2-6,9-11H,7-8H2,1H3
InChIKeyJTVWJNZETXXSAG-UHFFFAOYSA-N
XLogP3.96
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.30
LogP ≤ 53.96
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-(3-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[2-(3-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide (CID 30659179) is 6-chloro-N-[2-(3-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-(3-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-(3-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide is Cc1cc(N(CCOc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)nc2)no1.
What is the InChIKey of 6-chloro-N-[2-(3-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The InChIKey is JTVWJNZETXXSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O4S/c1-12-9-17(21-26-12)22(7-8-25-14-4-2-3-13(18)10-14)27(23,24)15-5-6-16(19)20-11-15/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 6-chloro-N-[2-(3-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
6-chloro-N-[2-(3-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide has a molecular weight of 428.30 g/mol, XLogP of 3.96, 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-(3-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 30659179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).