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

C9H10BrClN2O5S — CID 61299485

IUPACmethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H10BrClN2O5S/c1-18-9(15)6(4-14)13-19(16,17)7-2-5(10)3-12-8(7)11/h2-3,6,13-14H,4H2,1H3
InChIKeyLRYWMFPIIXUSSX-UHFFFAOYSA-N
MW373.61 g/mol
LogP0.31
Rot. Bonds5

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

methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate (PubChem CID 61299485) has the molecular formula C9H10BrClN2O5S and a molecular weight of 373.61 g/mol. Its IUPAC name is methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate
PubChem CID61299485
Molecular FormulaC9H10BrClN2O5S
Molecular Weight373.61 g/mol
Exact Mass371.92
IUPAC Namemethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H10BrClN2O5S/c1-18-9(15)6(4-14)13-19(16,17)7-2-5(10)3-12-8(7)11/h2-3,6,13-14H,4H2,1H3
InChIKeyLRYWMFPIIXUSSX-UHFFFAOYSA-N
XLogP0.31
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-4-methylpentanoate
CID 61060736
ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61498779
methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate
CID 43405405
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide
CID 115755260
5-bromo-2-chloro-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65049278
methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate
CID 61051901
5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65035841
5-bromo-2-chloro-N-(4-hydroxypentan-2-yl)pyridine-3-sulfonamide
CID 113376188
methyl 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxypropanoate
CID 43624311
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide
CID 107856770
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate (CID 61299485) is methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate is COC(=O)C(CO)NS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate?
The InChIKey is LRYWMFPIIXUSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O5S/c1-18-9(15)6(4-14)13-19(16,17)7-2-5(10)3-12-8(7)11/h2-3,6,13-14H,4H2,1H3.
What are the key properties of methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate?
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate has a molecular weight of 373.61 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate is sourced from PubChem (CID 61299485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).