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

C17H18FNO4S — CID 59637315

IUPACethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H18FNO4S/c1-3-23-17(20)16(12-7-5-4-6-8-12)13-9-10-15(14(18)11-13)19-24(2,21)22/h4-11,16,19H,3H2,1-2H3
InChIKeyYYGJZORLCMZUJF-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.89
Rot. Bonds6

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

ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetate (PubChem CID 59637315) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetate
PubChem CID59637315
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Nameethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H18FNO4S/c1-3-23-17(20)16(12-7-5-4-6-8-12)13-9-10-15(14(18)11-13)19-24(2,21)22/h4-11,16,19H,3H2,1-2H3
InChIKeyYYGJZORLCMZUJF-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24742043
2-[(4-Tert-butylphenyl)methyl]-3-[2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 11364848
(2S)-2-benzyl-3-[(2R)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24754526
(2S)-2-benzyl-3-[(2S)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24754527
(2S)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24754528
(2R)-2-benzyl-3-[(2R)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24754606
(2R)-2-[(4-tert-butylphenyl)methyl]-3-[(2R)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24754607
(2S)-2-[(4-tert-butylphenyl)methyl]-3-[(2R)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24755458
(2R)-2-benzyl-3-[(2S)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24755463
[2-[(4-Tert-butylphenyl)methyl]-3-[[2-[3-fluoro-4-(methanesulfonamido)phenyl]acetyl]amino]propyl] 2,2-dimethylpropanoate
CID 24768192
3-(3-Carbamimidoyl-phenyl)-5-(4-methanesulfonylamino-phenyl)-pentanoic acid methyl ester
CID 10621200
3-(4-methylphenyl)-4-(4-methylsulfonamidophenyl)-2(5H)furanone
CID 16126757

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetate?
The IUPAC name of ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetate (CID 59637315) is ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetate?
The canonical SMILES for ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetate is CCOC(=O)C(c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetate?
The InChIKey is YYGJZORLCMZUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-3-23-17(20)16(12-7-5-4-6-8-12)13-9-10-15(14(18)11-13)19-24(2,21)22/h4-11,16,19H,3H2,1-2H3.
What are the key properties of ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetate?
ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetate has a molecular weight of 351.40 g/mol, XLogP of 2.89, 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-phenylacetate is sourced from PubChem (CID 59637315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).