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

C17H15Cl2N3O4S — CID 30869375

IUPAC6-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
SMILESCOc1ccc(Cl)cc1CN(c1cc(C)on1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C17H15Cl2N3O4S/c1-11-7-17(21-26-11)22(10-12-8-13(18)3-5-15(12)25-2)27(23,24)14-4-6-16(19)20-9-14/h3-9H,10H2,1-2H3
InChIKeyZPVGYQBPPZFRIG-UHFFFAOYSA-N
MW428.30 g/mol
LogP4.09
Rot. Bonds6

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

6-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide (PubChem CID 30869375) has the molecular formula C17H15Cl2N3O4S and a molecular weight of 428.30 g/mol. Its IUPAC name is 6-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
PubChem CID30869375
Molecular FormulaC17H15Cl2N3O4S
Molecular Weight428.30 g/mol
Exact Mass427.02
IUPAC Name6-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
SMILESCOc1ccc(Cl)cc1CN(c1cc(C)on1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C17H15Cl2N3O4S/c1-11-7-17(21-26-11)22(10-12-8-13(18)3-5-15(12)25-2)27(23,24)14-4-6-16(19)20-9-14/h3-9H,10H2,1-2H3
InChIKeyZPVGYQBPPZFRIG-UHFFFAOYSA-N
XLogP4.09
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.30
LogP ≤ 54.09
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-[(5-chloro-2-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide (CID 30869375) is 6-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide is COc1ccc(Cl)cc1CN(c1cc(C)on1)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The InChIKey is ZPVGYQBPPZFRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O4S/c1-11-7-17(21-26-11)22(10-12-8-13(18)3-5-15(12)25-2)27(23,24)14-4-6-16(19)20-9-14/h3-9H,10H2,1-2H3.
What are the key properties of 6-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
6-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide has a molecular weight of 428.30 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 30869375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).