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

C17H24FNO4S — CID 70847544

IUPACethyl 2-[2-cyclohexyl-3-fluoro-4-(methanesulfonamido)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(C)(=O)=O)c(F)c1C1CCCCC1
InChIInChI=1S/C17H24FNO4S/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/h9-10,12,19H,3-8,11H2,1-2H3
InChIKeyDANUJTIUJQVSOS-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.35
Rot. Bonds6

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

ethyl 2-[2-cyclohexyl-3-fluoro-4-(methanesulfonamido)phenyl]acetate (PubChem CID 70847544) has the molecular formula C17H24FNO4S and a molecular weight of 357.45 g/mol. Its IUPAC name is ethyl 2-[2-cyclohexyl-3-fluoro-4-(methanesulfonamido)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-cyclohexyl-3-fluoro-4-(methanesulfonamido)phenyl]acetate
PubChem CID70847544
Molecular FormulaC17H24FNO4S
Molecular Weight357.45 g/mol
Exact Mass357.14
IUPAC Nameethyl 2-[2-cyclohexyl-3-fluoro-4-(methanesulfonamido)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(C)(=O)=O)c(F)c1C1CCCCC1
InChIInChI=1S/C17H24FNO4S/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/h9-10,12,19H,3-8,11H2,1-2H3
InChIKeyDANUJTIUJQVSOS-UHFFFAOYSA-N
XLogP3.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-4-(4-methylsulfonamidophenyl)-2(5H)furanone
CID 16126757
[2-[(3,4-Dimethylphenyl)methyl]-3-[2-[4-(methanesulfonamido)phenyl]acetyl]oxypropyl] 2,2-dimethylpropanoate
CID 44313361
4-(4-methylsulfonamidophenyl)-3-phenyl-2(5H)furanone
CID 44422372
3-(4-fluorophenyl)-4-(4-methylsulfonamidophenyl)-2(5H)furanone
CID 44422376
2-[4-(Methanesulfonamido)phenyl]propanoic acid
CID 44427700
Ethyl 6-(2-fluorophenyl)-4-(3-methanesulfonamidophenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 4210622
Ethyl 5-(3-aminophenyl)-2-phenylpentanoate
CID 53238115
Ethyl 5-(4-aminophenyl)-2-phenylpentanoate
CID 53238116
Ethyl 4-(3-aminophenyl)-2-phenylbutanoate
CID 53238117
Ethyl 4-(4-aminophenyl)-2-phenylbutanoate
CID 53238118
methyl 2-[4-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]phenyl]acetate
CID 155563058
[2-[[[(2S)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanoyl]amino]methyl]-3-(2-methylphenyl)propyl] 2,2-dimethylpropanoate
CID 139248249

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-cyclohexyl-3-fluoro-4-(methanesulfonamido)phenyl]acetate?
The IUPAC name of ethyl 2-[2-cyclohexyl-3-fluoro-4-(methanesulfonamido)phenyl]acetate (CID 70847544) is ethyl 2-[2-cyclohexyl-3-fluoro-4-(methanesulfonamido)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-cyclohexyl-3-fluoro-4-(methanesulfonamido)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-cyclohexyl-3-fluoro-4-(methanesulfonamido)phenyl]acetate is CCOC(=O)Cc1ccc(NS(C)(=O)=O)c(F)c1C1CCCCC1.
What is the InChIKey of ethyl 2-[2-cyclohexyl-3-fluoro-4-(methanesulfonamido)phenyl]acetate?
The InChIKey is DANUJTIUJQVSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO4S/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/h9-10,12,19H,3-8,11H2,1-2H3.
What are the key properties of ethyl 2-[2-cyclohexyl-3-fluoro-4-(methanesulfonamido)phenyl]acetate?
ethyl 2-[2-cyclohexyl-3-fluoro-4-(methanesulfonamido)phenyl]acetate has a molecular weight of 357.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-cyclohexyl-3-fluoro-4-(methanesulfonamido)phenyl]acetate is sourced from PubChem (CID 70847544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).