ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate

C12H17ClN2O4S — CID 61047092

IUPACethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O4S/c1-4-19-12(16)8-15(9(2)3)20(17,18)10-5-6-11(13)14-7-10/h5-7,9H,4,8H2,1-3H3
InChIKeyXQPRLAZUEDFOIF-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.70
Rot. Bonds6

About ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate

ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate (PubChem CID 61047092) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate
PubChem CID61047092
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Nameethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O4S/c1-4-19-12(16)8-15(9(2)3)20(17,18)10-5-6-11(13)14-7-10/h5-7,9H,4,8H2,1-3H3
InChIKeyXQPRLAZUEDFOIF-UHFFFAOYSA-N
XLogP1.70
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate 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

6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide
CID 71844517
ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 60730690
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-propan-2-ylamino]acetate
CID 55854442
6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 43429215
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 54901433
ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate
CID 81265540
ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate
CID 61022883
ethyl 2-[(2,5-dimethylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 61021456
ethyl (E)-3-(6-chloro-3-pyridinyl)-2-methylsulfonylprop-2-enoate
CID 135039152
ethyl 2-[(2-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetate
CID 61127209
methyl 2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 54942029
ethyl (3S)-3-amino-3-(6-chloro-3-pyridinyl)propanoate
CID 171218331

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate (CID 61047092) is ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate?
The InChIKey is XQPRLAZUEDFOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-4-19-12(16)8-15(9(2)3)20(17,18)10-5-6-11(13)14-7-10/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate?
ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate has a molecular weight of 320.80 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate is sourced from PubChem (CID 61047092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).