ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate

C10H13ClN2O4S — CID 60730690

IUPACethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate
SMILESCCOC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O4S/c1-2-17-10(14)5-6-13-18(15,16)8-3-4-9(11)12-7-8/h3-4,7,13H,2,5-6H2,1H3
InChIKeyWVVYWTJIJLDRAV-UHFFFAOYSA-N
MW292.74 g/mol
LogP0.97
Rot. Bonds6

About ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate

ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate (PubChem CID 60730690) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate
PubChem CID60730690
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Nameethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate
SMILESCCOC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O4S/c1-2-17-10(14)5-6-13-18(15,16)8-3-4-9(11)12-7-8/h3-4,7,13H,2,5-6H2,1H3
InChIKeyWVVYWTJIJLDRAV-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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Related Compounds

ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
ethyl 3-[[4-(aminomethyl)phenyl]sulfonylamino]propanoate
CID 69157083
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 26943001
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 55207055
ethyl 3-[(3-methylphenyl)sulfonylamino]propanoate
CID 60643076
propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 43020880
ethyl 3-[[4-(cyanomethyl)phenyl]sulfonylamino]propanoate
CID 79196212
ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate
CID 61047092
6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872614
ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 86629880

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate?
The IUPAC name of ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate (CID 60730690) is ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate?
The canonical SMILES for ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate is CCOC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate?
The InChIKey is WVVYWTJIJLDRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-2-17-10(14)5-6-13-18(15,16)8-3-4-9(11)12-7-8/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate?
ethyl 3-[(6-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-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate is sourced from PubChem (CID 60730690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).