ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate

C10H12BrClN2O4S — CID 61498779

IUPACethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2O4S/c1-3-18-10(15)6(2)14-19(16,17)8-4-7(11)5-13-9(8)12/h4-6,14H,3H2,1-2H3
InChIKeyKDQJYMUUIPBHJL-UHFFFAOYSA-N
MW371.64 g/mol
LogP1.73
Rot. Bonds5

About ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate

ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate (PubChem CID 61498779) has the molecular formula C10H12BrClN2O4S and a molecular weight of 371.64 g/mol. Its IUPAC name is ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate
PubChem CID61498779
Molecular FormulaC10H12BrClN2O4S
Molecular Weight371.64 g/mol
Exact Mass369.94
IUPAC Nameethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2O4S/c1-3-18-10(15)6(2)14-19(16,17)8-4-7(11)5-13-9(8)12/h4-6,14H,3H2,1-2H3
InChIKeyKDQJYMUUIPBHJL-UHFFFAOYSA-N
XLogP1.73
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-4-methylpentanoate
CID 61060736
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate
CID 61299485
5-bromo-2-chloro-N-(4-hydroxypentan-2-yl)pyridine-3-sulfonamide
CID 113376188
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
5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide
CID 115767086
5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115899532
5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide
CID 106898775
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide
CID 107856770
5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 62693299
5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 63494942

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate?
The IUPAC name of ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate (CID 61498779) is ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate?
The canonical SMILES for ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate is CCOC(=O)C(C)NS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate?
The InChIKey is KDQJYMUUIPBHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O4S/c1-3-18-10(15)6(2)14-19(16,17)8-4-7(11)5-13-9(8)12/h4-6,14H,3H2,1-2H3.
What are the key properties of ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate?
ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate has a molecular weight of 371.64 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate is sourced from PubChem (CID 61498779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).