methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate

C8H8BrClN2O4S — CID 61060282

IUPACmethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C8H8BrClN2O4S/c1-16-7(13)4-12-17(14,15)6-2-5(9)3-11-8(6)10/h2-3,12H,4H2,1H3
InChIKeyZEJWPMKAJDJHFY-UHFFFAOYSA-N
MW343.59 g/mol
LogP0.95
Rot. Bonds4

About methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate

methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate (PubChem CID 61060282) has the molecular formula C8H8BrClN2O4S and a molecular weight of 343.59 g/mol. Its IUPAC name is methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
PubChem CID61060282
Molecular FormulaC8H8BrClN2O4S
Molecular Weight343.59 g/mol
Exact Mass341.91
IUPAC Namemethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C8H8BrClN2O4S/c1-16-7(13)4-12-17(14,15)6-2-5(9)3-11-8(6)10/h2-3,12H,4H2,1H3
InChIKeyZEJWPMKAJDJHFY-UHFFFAOYSA-N
XLogP0.95
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.59
LogP ≤ 50.95
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-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 115582918
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
CID 61059689
5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide
CID 103526952
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65035841
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate
CID 43404988
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate
CID 61299485
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 61301034
5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 62693299
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate (CID 61060282) is methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate?
The InChIKey is ZEJWPMKAJDJHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O4S/c1-16-7(13)4-12-17(14,15)6-2-5(9)3-11-8(6)10/h2-3,12H,4H2,1H3.
What are the key properties of methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate?
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate has a molecular weight of 343.59 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate is sourced from PubChem (CID 61060282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).