ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate

C9H10ClNO4S — CID 107334856

IUPACethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C9H10ClNO4S/c1-2-15-9(12)5-7-3-4-8(6-11-7)16(10,13)14/h3-4,6H,2,5H2,1H3
InChIKeyVCYPDSVUJRQNHW-UHFFFAOYSA-N
MW263.70 g/mol
LogP1.11
Rot. Bonds4

About ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate

ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate (PubChem CID 107334856) has the molecular formula C9H10ClNO4S and a molecular weight of 263.70 g/mol. Its IUPAC name is ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate
PubChem CID107334856
Molecular FormulaC9H10ClNO4S
Molecular Weight263.70 g/mol
Exact Mass263.00
IUPAC Nameethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C9H10ClNO4S/c1-2-15-9(12)5-7-3-4-8(6-11-7)16(10,13)14/h3-4,6H,2,5H2,1H3
InChIKeyVCYPDSVUJRQNHW-UHFFFAOYSA-N
XLogP1.11
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(hydroxymethyl)pyridine-3-sulfonyl chloride
CID 59177257
methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate
CID 170337554
ethyl 2-[5-(1-sulfanylethyl)-2-pyridinyl]acetate
CID 139459101
ethyl 2-(5-amino-4-methyl-2-pyridinyl)acetate
CID 133098372
ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate
CID 25158140
ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate
CID 133098224
6-ethylsulfonylpyridine-3-sulfonyl chloride
CID 112572830
ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 60730690
methyl 5-chlorosulfonylpyridine-2-carboxylate
CID 55279599
(5-chlorosulfonyl-2-pyridinyl) carbamate
CID 175221806
ethyl 2-(6-chloropyrazin-2-yl)acetate
CID 52987963
ethyl 2-(5-hydroxy-6-nitro-2-pyridinyl)acetate
CID 133096630

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate (CID 107334856) is ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate is CCOC(=O)Cc1ccc(S(=O)(=O)Cl)cn1.
What is the InChIKey of ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate?
The InChIKey is VCYPDSVUJRQNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4S/c1-2-15-9(12)5-7-3-4-8(6-11-7)16(10,13)14/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate?
ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate has a molecular weight of 263.70 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate is sourced from PubChem (CID 107334856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).