ethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate

C15H14ClFN2O4S — CID 142344958

IUPACethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate
SMILESCCOC(=O)CN(c1ccc(F)nc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClFN2O4S/c1-2-23-15(20)10-19(12-5-8-14(17)18-9-12)24(21,22)13-6-3-11(16)4-7-13/h3-9H,2,10H2,1H3
InChIKeyDGDVLMSQUVFQOR-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.63
Rot. Bonds6

About ethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate

ethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate (PubChem CID 142344958) has the molecular formula C15H14ClFN2O4S and a molecular weight of 372.81 g/mol. Its IUPAC name is ethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate
PubChem CID142344958
Molecular FormulaC15H14ClFN2O4S
Molecular Weight372.81 g/mol
Exact Mass372.03
IUPAC Nameethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate
SMILESCCOC(=O)CN(c1ccc(F)nc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClFN2O4S/c1-2-23-15(20)10-19(12-5-8-14(17)18-9-12)24(21,22)13-6-3-11(16)4-7-13/h3-9H,2,10H2,1H3
InChIKeyDGDVLMSQUVFQOR-UHFFFAOYSA-N
XLogP2.63
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate (CID 142344958) is ethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate is CCOC(=O)CN(c1ccc(F)nc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate?
The InChIKey is DGDVLMSQUVFQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O4S/c1-2-23-15(20)10-19(12-5-8-14(17)18-9-12)24(21,22)13-6-3-11(16)4-7-13/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate?
ethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate has a molecular weight of 372.81 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chlorophenyl)sulfonyl-(6-fluoro-3-pyridinyl)amino]acetate is sourced from PubChem (CID 142344958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).