ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate

C10H13ClN2O4S — CID 55207055

IUPACethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
SMILESCCOC(=O)CCNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C10H13ClN2O4S/c1-2-17-9(14)5-7-13-18(15,16)8-4-3-6-12-10(8)11/h3-4,6,13H,2,5,7H2,1H3
InChIKeyGRZSXWAXQBCPTH-UHFFFAOYSA-N
MW292.74 g/mol
LogP0.97
Rot. Bonds6

About ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate

ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate (PubChem CID 55207055) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
PubChem CID55207055
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Nameethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
SMILESCCOC(=O)CCNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C10H13ClN2O4S/c1-2-17-9(14)5-7-13-18(15,16)8-4-3-6-12-10(8)11/h3-4,6,13H,2,5,7H2,1H3
InChIKeyGRZSXWAXQBCPTH-UHFFFAOYSA-N
XLogP0.97
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate?
The IUPAC name of ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate (CID 55207055) is ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate?
The canonical SMILES for ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate is CCOC(=O)CCNS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate?
The InChIKey is GRZSXWAXQBCPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-2-17-9(14)5-7-13-18(15,16)8-4-3-6-12-10(8)11/h3-4,6,13H,2,5,7H2,1H3.
What are the key properties of ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate?
ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate has a molecular weight of 292.74 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate is sourced from PubChem (CID 55207055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).