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

C17H18FNO4S — CID 70847530

IUPACethyl 2-[3-fluoro-4-(methanesulfonamido)-2-phenylphenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(C)(=O)=O)c(F)c1-c1ccccc1
InChIInChI=1S/C17H18FNO4S/c1-3-23-15(20)11-13-9-10-14(19-24(2,21)22)17(18)16(13)12-7-5-4-6-8-12/h4-10,19H,3,11H2,1-2H3
InChIKeyUHDPYVWUMVQKBR-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.97
Rot. Bonds6

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

ethyl 2-[3-fluoro-4-(methanesulfonamido)-2-phenylphenyl]acetate (PubChem CID 70847530) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is ethyl 2-[3-fluoro-4-(methanesulfonamido)-2-phenylphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-fluoro-4-(methanesulfonamido)-2-phenylphenyl]acetate
PubChem CID70847530
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Nameethyl 2-[3-fluoro-4-(methanesulfonamido)-2-phenylphenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(C)(=O)=O)c(F)c1-c1ccccc1
InChIInChI=1S/C17H18FNO4S/c1-3-23-15(20)11-13-9-10-14(19-24(2,21)22)17(18)16(13)12-7-5-4-6-8-12/h4-10,19H,3,11H2,1-2H3
InChIKeyUHDPYVWUMVQKBR-UHFFFAOYSA-N
XLogP2.97
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.97
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)-2-phenylphenyl]acetate?
The IUPAC name of ethyl 2-[3-fluoro-4-(methanesulfonamido)-2-phenylphenyl]acetate (CID 70847530) is ethyl 2-[3-fluoro-4-(methanesulfonamido)-2-phenylphenyl]acetate.
What is the SMILES notation for ethyl 2-[3-fluoro-4-(methanesulfonamido)-2-phenylphenyl]acetate?
The canonical SMILES for ethyl 2-[3-fluoro-4-(methanesulfonamido)-2-phenylphenyl]acetate is CCOC(=O)Cc1ccc(NS(C)(=O)=O)c(F)c1-c1ccccc1.
What is the InChIKey of ethyl 2-[3-fluoro-4-(methanesulfonamido)-2-phenylphenyl]acetate?
The InChIKey is UHDPYVWUMVQKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-3-23-15(20)11-13-9-10-14(19-24(2,21)22)17(18)16(13)12-7-5-4-6-8-12/h4-10,19H,3,11H2,1-2H3.
What are the key properties of ethyl 2-[3-fluoro-4-(methanesulfonamido)-2-phenylphenyl]acetate?
ethyl 2-[3-fluoro-4-(methanesulfonamido)-2-phenylphenyl]acetate has a molecular weight of 351.40 g/mol, XLogP of 2.97, 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)-2-phenylphenyl]acetate is sourced from PubChem (CID 70847530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).