ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate

C17H17F2NO4S — CID 59637284

IUPACethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate
SMILESCCOC(=O)C(c1cccc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H17F2NO4S/c1-3-24-17(21)16(11-5-4-6-13(18)9-11)12-7-8-15(14(19)10-12)20-25(2,22)23/h4-10,16,20H,3H2,1-2H3
InChIKeyDKVRUYFXNUKHCG-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.03
Rot. Bonds6

About ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate

ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate (PubChem CID 59637284) has the molecular formula C17H17F2NO4S and a molecular weight of 369.39 g/mol. Its IUPAC name is ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate
PubChem CID59637284
Molecular FormulaC17H17F2NO4S
Molecular Weight369.39 g/mol
Exact Mass369.08
IUPAC Nameethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate
SMILESCCOC(=O)C(c1cccc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H17F2NO4S/c1-3-24-17(21)16(11-5-4-6-13(18)9-11)12-7-8-15(14(19)10-12)20-25(2,22)23/h4-10,16,20H,3H2,1-2H3
InChIKeyDKVRUYFXNUKHCG-UHFFFAOYSA-N
XLogP3.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate?
The IUPAC name of ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate (CID 59637284) is ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate is CCOC(=O)C(c1cccc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate?
The InChIKey is DKVRUYFXNUKHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO4S/c1-3-24-17(21)16(11-5-4-6-13(18)9-11)12-7-8-15(14(19)10-12)20-25(2,22)23/h4-10,16,20H,3H2,1-2H3.
What are the key properties of ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate?
ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate has a molecular weight of 369.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetate is sourced from PubChem (CID 59637284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).