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

C21H24ClN3O4S — CID 34062488

IUPAC6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyridine-3-sulfonamide
SMILESCc1cc(N(CCOc2ccc(C(C)C)c(C)c2)S(=O)(=O)c2ccc(Cl)nc2)no1
InChIInChI=1S/C21H24ClN3O4S/c1-14(2)19-7-5-17(11-15(19)3)28-10-9-25(21-12-16(4)29-24-21)30(26,27)18-6-8-20(22)23-13-18/h5-8,11-14H,9-10H2,1-4H3
InChIKeyNEYYPCBIGIAUGQ-UHFFFAOYSA-N
MW449.96 g/mol
LogP4.74
Rot. Bonds8

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

6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyridine-3-sulfonamide (PubChem CID 34062488) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyridine-3-sulfonamide
PubChem CID34062488
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC Name6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyridine-3-sulfonamide
SMILESCc1cc(N(CCOc2ccc(C(C)C)c(C)c2)S(=O)(=O)c2ccc(Cl)nc2)no1
InChIInChI=1S/C21H24ClN3O4S/c1-14(2)19-7-5-17(11-15(19)3)28-10-9-25(21-12-16(4)29-24-21)30(26,27)18-6-8-20(22)23-13-18/h5-8,11-14H,9-10H2,1-4H3
InChIKeyNEYYPCBIGIAUGQ-UHFFFAOYSA-N
XLogP4.74
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 54.74
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-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyridine-3-sulfonamide (CID 34062488) is 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyridine-3-sulfonamide is Cc1cc(N(CCOc2ccc(C(C)C)c(C)c2)S(=O)(=O)c2ccc(Cl)nc2)no1.
What is the InChIKey of 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyridine-3-sulfonamide?
The InChIKey is NEYYPCBIGIAUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c1-14(2)19-7-5-17(11-15(19)3)28-10-9-25(21-12-16(4)29-24-21)30(26,27)18-6-8-20(22)23-13-18/h5-8,11-14H,9-10H2,1-4H3.
What are the key properties of 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyridine-3-sulfonamide?
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyridine-3-sulfonamide has a molecular weight of 449.96 g/mol, XLogP of 4.74, 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-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 34062488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).