methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate

C8H8Cl2N2O4S — CID 64624792

IUPACmethyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2N2O4S/c1-16-7(13)4-12-17(14,15)5-2-6(9)8(10)11-3-5/h2-3,12H,4H2,1H3
InChIKeyIOQQIZVFRUSIMY-UHFFFAOYSA-N
MW299.14 g/mol
LogP0.84
Rot. Bonds4

About methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate

methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate (PubChem CID 64624792) has the molecular formula C8H8Cl2N2O4S and a molecular weight of 299.14 g/mol. Its IUPAC name is methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
PubChem CID64624792
Molecular FormulaC8H8Cl2N2O4S
Molecular Weight299.14 g/mol
Exact Mass297.96
IUPAC Namemethyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2N2O4S/c1-16-7(13)4-12-17(14,15)5-2-6(9)8(10)11-3-5/h2-3,12H,4H2,1H3
InChIKeyIOQQIZVFRUSIMY-UHFFFAOYSA-N
XLogP0.84
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 50.84
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

5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
CID 43404992
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-phenylacetamide
CID 110304512
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide
CID 110309462
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
CID 64608025
5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65106876
3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 64608415
N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide
CID 115641375

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate (CID 64624792) is methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate?
The InChIKey is IOQQIZVFRUSIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O4S/c1-16-7(13)4-12-17(14,15)5-2-6(9)8(10)11-3-5/h2-3,12H,4H2,1H3.
What are the key properties of methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate?
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate has a molecular weight of 299.14 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate is sourced from PubChem (CID 64624792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).