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

C18H18ClN3O4S — CID 30659165

IUPAC6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]pyridine-3-sulfonamide
SMILESCc1ccc(OCCN(c2cc(C)on2)S(=O)(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C18H18ClN3O4S/c1-13-3-5-15(6-4-13)25-10-9-22(18-11-14(2)26-21-18)27(23,24)16-7-8-17(19)20-12-16/h3-8,11-12H,9-10H2,1-2H3
InChIKeyQBMOVNBJLXAIPW-UHFFFAOYSA-N
MW407.88 g/mol
LogP3.61
Rot. Bonds7

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

6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]pyridine-3-sulfonamide (PubChem CID 30659165) 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-[2-(4-methylphenoxy)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]pyridine-3-sulfonamide
PubChem CID30659165
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC Name6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]pyridine-3-sulfonamide
SMILESCc1ccc(OCCN(c2cc(C)on2)S(=O)(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C18H18ClN3O4S/c1-13-3-5-15(6-4-13)25-10-9-22(18-11-14(2)26-21-18)27(23,24)16-7-8-17(19)20-12-16/h3-8,11-12H,9-10H2,1-2H3
InChIKeyQBMOVNBJLXAIPW-UHFFFAOYSA-N
XLogP3.61
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 53.61
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-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]pyridine-3-sulfonamide (CID 30659165) is 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]pyridine-3-sulfonamide is Cc1ccc(OCCN(c2cc(C)on2)S(=O)(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]pyridine-3-sulfonamide?
The InChIKey is QBMOVNBJLXAIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c1-13-3-5-15(6-4-13)25-10-9-22(18-11-14(2)26-21-18)27(23,24)16-7-8-17(19)20-12-16/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]pyridine-3-sulfonamide?
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]pyridine-3-sulfonamide has a molecular weight of 407.88 g/mol, XLogP of 3.61, 7 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-[2-(4-methylphenoxy)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 30659165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).