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

C18H17Cl2N3O4S — CID 30869360

IUPAC6-chloro-N-[3-(4-chlorophenoxy)propyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
SMILESCc1cc(N(CCCOc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)nc2)no1
InChIInChI=1S/C18H17Cl2N3O4S/c1-13-11-18(22-27-13)23(28(24,25)16-7-8-17(20)21-12-16)9-2-10-26-15-5-3-14(19)4-6-15/h3-8,11-12H,2,9-10H2,1H3
InChIKeyJWGMKORCYBMHSS-UHFFFAOYSA-N
MW442.32 g/mol
LogP4.35
Rot. Bonds8

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

6-chloro-N-[3-(4-chlorophenoxy)propyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide (PubChem CID 30869360) has the molecular formula C18H17Cl2N3O4S and a molecular weight of 442.32 g/mol. Its IUPAC name is 6-chloro-N-[3-(4-chlorophenoxy)propyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[3-(4-chlorophenoxy)propyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
PubChem CID30869360
Molecular FormulaC18H17Cl2N3O4S
Molecular Weight442.32 g/mol
Exact Mass441.03
IUPAC Name6-chloro-N-[3-(4-chlorophenoxy)propyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
SMILESCc1cc(N(CCCOc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)nc2)no1
InChIInChI=1S/C18H17Cl2N3O4S/c1-13-11-18(22-27-13)23(28(24,25)16-7-8-17(20)21-12-16)9-2-10-26-15-5-3-14(19)4-6-15/h3-8,11-12H,2,9-10H2,1H3
InChIKeyJWGMKORCYBMHSS-UHFFFAOYSA-N
XLogP4.35
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(4-chlorophenoxy)propyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[3-(4-chlorophenoxy)propyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide (CID 30869360) is 6-chloro-N-[3-(4-chlorophenoxy)propyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[3-(4-chlorophenoxy)propyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[3-(4-chlorophenoxy)propyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide is Cc1cc(N(CCCOc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)nc2)no1.
What is the InChIKey of 6-chloro-N-[3-(4-chlorophenoxy)propyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The InChIKey is JWGMKORCYBMHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O4S/c1-13-11-18(22-27-13)23(28(24,25)16-7-8-17(20)21-12-16)9-2-10-26-15-5-3-14(19)4-6-15/h3-8,11-12H,2,9-10H2,1H3.
What are the key properties of 6-chloro-N-[3-(4-chlorophenoxy)propyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
6-chloro-N-[3-(4-chlorophenoxy)propyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide has a molecular weight of 442.32 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(4-chlorophenoxy)propyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 30869360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).