methyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate

C15H13FN4O4S — CID 53158169

IUPACmethyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate
SMILESCOC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc2nncn2c1
InChIInChI=1S/C15H13FN4O4S/c1-24-15(21)9-20(12-4-2-3-11(16)7-12)25(22,23)13-5-6-14-18-17-10-19(14)8-13/h2-8,10H,9H2,1H3
InChIKeyRAAXKMMJQDNEJB-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.24
Rot. Bonds5

About methyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate

methyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate (PubChem CID 53158169) has the molecular formula C15H13FN4O4S and a molecular weight of 364.36 g/mol. Its IUPAC name is methyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate
PubChem CID53158169
Molecular FormulaC15H13FN4O4S
Molecular Weight364.36 g/mol
Exact Mass364.06
IUPAC Namemethyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate
SMILESCOC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc2nncn2c1
InChIInChI=1S/C15H13FN4O4S/c1-24-15(21)9-20(12-4-2-3-11(16)7-12)25(22,23)13-5-6-14-18-17-10-19(14)8-13/h2-8,10H,9H2,1H3
InChIKeyRAAXKMMJQDNEJB-UHFFFAOYSA-N
XLogP1.24
TPSA93.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate with MolForge

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Related Compounds

N-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158171
ethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate
CID 53158049
methyl 2-(3-bromo-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50890869
methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891507
methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-iodoanilino)acetate
CID 50891171
methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50889553
methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50892994
methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100541348
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid
CID 50890513
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-fluorophenyl)sulfonylamino]acetate
CID 100504078
methyl 2-[1,3-benzodioxol-5-yl-(4-fluorophenyl)sulfonylamino]acetate
CID 100503125

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate?
The IUPAC name of methyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate (CID 53158169) is methyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate.
What is the SMILES notation for methyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate?
The canonical SMILES for methyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate is COC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc2nncn2c1.
What is the InChIKey of methyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate?
The InChIKey is RAAXKMMJQDNEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O4S/c1-24-15(21)9-20(12-4-2-3-11(16)7-12)25(22,23)13-5-6-14-18-17-10-19(14)8-13/h2-8,10H,9H2,1H3.
What are the key properties of methyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate?
methyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate has a molecular weight of 364.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate is sourced from PubChem (CID 53158169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).