methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate

C9H11ClN2O4S — CID 61150966

IUPACmethyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
SMILESCOC(=O)[C@H](C)NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C9H11ClN2O4S/c1-6(9(13)16-2)12-17(14,15)7-4-3-5-11-8(7)10/h3-6,12H,1-2H3/t6-/m0/s1
InChIKeyAJDGCZOFQFYKIO-LURJTMIESA-N
MW278.72 g/mol
LogP0.57
Rot. Bonds4

About methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate

methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate (PubChem CID 61150966) has the molecular formula C9H11ClN2O4S and a molecular weight of 278.72 g/mol. Its IUPAC name is methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
PubChem CID61150966
Molecular FormulaC9H11ClN2O4S
Molecular Weight278.72 g/mol
Exact Mass278.01
IUPAC Namemethyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
SMILESCOC(=O)[C@H](C)NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C9H11ClN2O4S/c1-6(9(13)16-2)12-17(14,15)7-4-3-5-11-8(7)10/h3-6,12H,1-2H3/t6-/m0/s1
InChIKeyAJDGCZOFQFYKIO-LURJTMIESA-N
XLogP0.57
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 50.57
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

2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 60716062
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
CID 54950252
(2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61142213
methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639230
methyl 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61046465
2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61052282
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 61041711
methyl 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-3-methylbutanoate
CID 106596603
2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115641407
methyl 4-[(2-chloro-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115641381

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate (CID 61150966) is methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate is COC(=O)[C@H](C)NS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate?
The InChIKey is AJDGCZOFQFYKIO-LURJTMIESA-N. The full InChI is InChI=1S/C9H11ClN2O4S/c1-6(9(13)16-2)12-17(14,15)7-4-3-5-11-8(7)10/h3-6,12H,1-2H3/t6-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate?
methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate has a molecular weight of 278.72 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate is sourced from PubChem (CID 61150966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).