6-chloro-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide

C14H13ClFN5O3S — CID 21464383

IUPAC6-chloro-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide
SMILESCCOc1cc(Cl)cn2nc(S(=O)(=O)Nc3c(C)ccnc3F)nc12
InChIInChI=1S/C14H13ClFN5O3S/c1-3-24-10-6-9(15)7-21-13(10)18-14(19-21)25(22,23)20-11-8(2)4-5-17-12(11)16/h4-7,20H,3H2,1-2H3
InChIKeyRYSPFIYHWXWQQV-UHFFFAOYSA-N
MW385.81 g/mol
LogP2.42
Rot. Bonds5

About 6-chloro-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide

6-chloro-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide (PubChem CID 21464383) has the molecular formula C14H13ClFN5O3S and a molecular weight of 385.81 g/mol. Its IUPAC name is 6-chloro-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide
PubChem CID21464383
Molecular FormulaC14H13ClFN5O3S
Molecular Weight385.81 g/mol
Exact Mass385.04
IUPAC Name6-chloro-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide
SMILESCCOc1cc(Cl)cn2nc(S(=O)(=O)Nc3c(C)ccnc3F)nc12
InChIInChI=1S/C14H13ClFN5O3S/c1-3-24-10-6-9(15)7-21-13(10)18-14(19-21)25(22,23)20-11-8(2)4-5-17-12(11)16/h4-7,20H,3H2,1-2H3
InChIKeyRYSPFIYHWXWQQV-UHFFFAOYSA-N
XLogP2.42
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide?
The IUPAC name of 6-chloro-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide (CID 21464383) is 6-chloro-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide.
What is the SMILES notation for 6-chloro-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide?
The canonical SMILES for 6-chloro-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide is CCOc1cc(Cl)cn2nc(S(=O)(=O)Nc3c(C)ccnc3F)nc12.
What is the InChIKey of 6-chloro-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide?
The InChIKey is RYSPFIYHWXWQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN5O3S/c1-3-24-10-6-9(15)7-21-13(10)18-14(19-21)25(22,23)20-11-8(2)4-5-17-12(11)16/h4-7,20H,3H2,1-2H3.
What are the key properties of 6-chloro-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide?
6-chloro-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide has a molecular weight of 385.81 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-ethoxy-N-(2-fluoro-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide is sourced from PubChem (CID 21464383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).