ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate

C12H15ClN2O4S — CID 61045378

IUPACethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H15ClN2O4S/c1-2-19-11(16)8-15(9-5-6-9)20(17,18)10-4-3-7-14-12(10)13/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyISBYYSPYNLYDCS-UHFFFAOYSA-N
MW318.78 g/mol
LogP1.45
Rot. Bonds6

About ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate

ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate (PubChem CID 61045378) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate
PubChem CID61045378
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Nameethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H15ClN2O4S/c1-2-19-11(16)8-15(9-5-6-9)20(17,18)10-4-3-7-14-12(10)13/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyISBYYSPYNLYDCS-UHFFFAOYSA-N
XLogP1.45
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-Chloropyridin-3-yl)sulfonyl]morpholine
CID 274147
6-chloro-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 2433231
Ethyl 1-(6-chloropyridin-3-yl)sulfonylpiperidine-4-carboxylate
CID 822460
6-chloro-N,N-bis(2-methoxyethyl)pyridine-3-sulfonamide
CID 1814408
2-(N-methylpyridine-3-sulfonamido)acetic acid
CID 24698584
2-(N-ethyl-2-chloropyridine-3-sulfonamido)acetic acid
CID 54595111
4-((2-Chloropyridin-3-yl)sulfonyl)morpholine
CID 12286953
Cycloheptyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate
CID 71896540
Ethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate
CID 142344958
methyl (2S)-2-[ethynyl(pyridin-2-ylsulfonyl)amino]pent-4-enoate
CID 100945410
Ethyl 2-[(3-chloro-4-fluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
CID 3862578
2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 55010850

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate (CID 61045378) is ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate is CCOC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate?
The InChIKey is ISBYYSPYNLYDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c1-2-19-11(16)8-15(9-5-6-9)20(17,18)10-4-3-7-14-12(10)13/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate?
ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate has a molecular weight of 318.78 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate is sourced from PubChem (CID 61045378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).