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

C18H18ClN3O4S — CID 30869362

IUPAC6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-(3-phenoxypropyl)pyridine-3-sulfonamide
SMILESCc1cc(N(CCCOc2ccccc2)S(=O)(=O)c2ccc(Cl)nc2)no1
InChIInChI=1S/C18H18ClN3O4S/c1-14-12-18(21-26-14)22(10-5-11-25-15-6-3-2-4-7-15)27(23,24)16-8-9-17(19)20-13-16/h2-4,6-9,12-13H,5,10-11H2,1H3
InChIKeyHRTQIIAWTSQBBP-UHFFFAOYSA-N
MW407.88 g/mol
LogP3.70
Rot. Bonds8

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

6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-(3-phenoxypropyl)pyridine-3-sulfonamide (PubChem CID 30869362) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-(3-phenoxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-(3-phenoxypropyl)pyridine-3-sulfonamide
PubChem CID30869362
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC Name6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-(3-phenoxypropyl)pyridine-3-sulfonamide
SMILESCc1cc(N(CCCOc2ccccc2)S(=O)(=O)c2ccc(Cl)nc2)no1
InChIInChI=1S/C18H18ClN3O4S/c1-14-12-18(21-26-14)22(10-5-11-25-15-6-3-2-4-7-15)27(23,24)16-8-9-17(19)20-13-16/h2-4,6-9,12-13H,5,10-11H2,1H3
InChIKeyHRTQIIAWTSQBBP-UHFFFAOYSA-N
XLogP3.70
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 53.70
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-(5-methyl-1,2-oxazol-3-yl)-N-(3-phenoxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-(3-phenoxypropyl)pyridine-3-sulfonamide (CID 30869362) is 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-(3-phenoxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-(3-phenoxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-(3-phenoxypropyl)pyridine-3-sulfonamide is Cc1cc(N(CCCOc2ccccc2)S(=O)(=O)c2ccc(Cl)nc2)no1.
What is the InChIKey of 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-(3-phenoxypropyl)pyridine-3-sulfonamide?
The InChIKey is HRTQIIAWTSQBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c1-14-12-18(21-26-14)22(10-5-11-25-15-6-3-2-4-7-15)27(23,24)16-8-9-17(19)20-13-16/h2-4,6-9,12-13H,5,10-11H2,1H3.
What are the key properties of 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-(3-phenoxypropyl)pyridine-3-sulfonamide?
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-(3-phenoxypropyl)pyridine-3-sulfonamide has a molecular weight of 407.88 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-(3-phenoxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 30869362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).