ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate

C9H12N2O4S — CID 141212885

IUPACethyl 2-(3-sulfamoyl-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncccc1S(N)(=O)=O
InChIInChI=1S/C9H12N2O4S/c1-2-15-9(12)6-7-8(16(10,13)14)4-3-5-11-7/h3-5H,2,6H2,1H3,(H2,10,13,14)
InChIKeyZJXGNWOYVNPUDQ-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.17
Rot. Bonds4

About ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate

ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate (PubChem CID 141212885) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-sulfamoyl-2-pyridinyl)acetate
PubChem CID141212885
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Nameethyl 2-(3-sulfamoyl-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncccc1S(N)(=O)=O
InChIInChI=1S/C9H12N2O4S/c1-2-15-9(12)6-7-8(16(10,13)14)4-3-5-11-7/h3-5H,2,6H2,1H3,(H2,10,13,14)
InChIKeyZJXGNWOYVNPUDQ-UHFFFAOYSA-N
XLogP-0.17
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
ethyl 2-quinolin-8-ylacetate
CID 52562898
azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate
CID 174610812
diethyl 2-(3-fluoro-2-pyridinyl)propanedioate;ethyl 2-(3-fluoro-2-pyridinyl)acetate
CID 159674340
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 171028667
ethyl 2-(3-methoxypyrazin-2-yl)acetate
CID 112692734
2-(3-methylsulfonyl-2-pyridinyl)acetic acid
CID 114600213
ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate
CID 114599518
ethyl 2-furo[3,2-b]pyridin-3-ylacetate
CID 10442936
ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate
CID 174212115

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate (CID 141212885) is ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate is CCOC(=O)Cc1ncccc1S(N)(=O)=O.
What is the InChIKey of ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate?
The InChIKey is ZJXGNWOYVNPUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-2-15-9(12)6-7-8(16(10,13)14)4-3-5-11-7/h3-5H,2,6H2,1H3,(H2,10,13,14).
What are the key properties of ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate?
ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate has a molecular weight of 244.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate is sourced from PubChem (CID 141212885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).