methyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate

C16H15ClN4O4S — CID 53153476

IUPACmethyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate
SMILESCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccn2c(C)nnc12
InChIInChI=1S/C16H15ClN4O4S/c1-11-18-19-16-14(7-4-8-20(11)16)26(23,24)21(10-15(22)25-2)13-6-3-5-12(17)9-13/h3-9H,10H2,1-2H3
InChIKeyYAZUCZQTHKMAMO-UHFFFAOYSA-N
MW394.84 g/mol
LogP2.06
Rot. Bonds5

About methyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate

methyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate (PubChem CID 53153476) has the molecular formula C16H15ClN4O4S and a molecular weight of 394.84 g/mol. Its IUPAC name is methyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate
PubChem CID53153476
Molecular FormulaC16H15ClN4O4S
Molecular Weight394.84 g/mol
Exact Mass394.05
IUPAC Namemethyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate
SMILESCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccn2c(C)nnc12
InChIInChI=1S/C16H15ClN4O4S/c1-11-18-19-16-14(7-4-8-20(11)16)26(23,24)21(10-15(22)25-2)13-6-3-5-12(17)9-13/h3-9H,10H2,1-2H3
InChIKeyYAZUCZQTHKMAMO-UHFFFAOYSA-N
XLogP2.06
TPSA93.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate with MolForge

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Related Compounds

ethyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate
CID 53153477
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
methyl 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510847
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
methyl 2-(N-(2,5-dichlorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetate
CID 50894710
propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890197
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
2-(3-chloro-N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid
CID 61456711
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 99958980
propan-2-yl 2-(3-chloro-N-methylsulfonylanilino)acetate
CID 50890248

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate?
The IUPAC name of methyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate (CID 53153476) is methyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate.
What is the SMILES notation for methyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate?
The canonical SMILES for methyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate is COC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccn2c(C)nnc12.
What is the InChIKey of methyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate?
The InChIKey is YAZUCZQTHKMAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O4S/c1-11-18-19-16-14(7-4-8-20(11)16)26(23,24)21(10-15(22)25-2)13-6-3-5-12(17)9-13/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate?
methyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate has a molecular weight of 394.84 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-chloro-N-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]anilino]acetate is sourced from PubChem (CID 53153476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).