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

C18H20FNO4S — CID 59637274

IUPACethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C18H20FNO4S/c1-3-24-18(21)15(11-13-7-5-4-6-8-13)14-9-10-17(16(19)12-14)20-25(2,22)23/h4-10,12,15,20H,3,11H2,1-2H3
InChIKeyBNXOIPBVAOXRAX-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.09
Rot. Bonds7

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

ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-3-phenylpropanoate (PubChem CID 59637274) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-3-phenylpropanoate
PubChem CID59637274
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Nameethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C18H20FNO4S/c1-3-24-18(21)15(11-13-7-5-4-6-8-13)14-9-10-17(16(19)12-14)20-25(2,22)23/h4-10,12,15,20H,3,11H2,1-2H3
InChIKeyBNXOIPBVAOXRAX-UHFFFAOYSA-N
XLogP3.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.09
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]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-3-phenylpropanoate (CID 59637274) is ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-3-phenylpropanoate?
The InChIKey is BNXOIPBVAOXRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-3-24-18(21)15(11-13-7-5-4-6-8-13)14-9-10-17(16(19)12-14)20-25(2,22)23/h4-10,12,15,20H,3,11H2,1-2H3.
What are the key properties of ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-3-phenylpropanoate?
ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-3-phenylpropanoate has a molecular weight of 365.43 g/mol, XLogP of 3.09, 7 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]-3-phenylpropanoate is sourced from PubChem (CID 59637274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).