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

C17H24FNO4S — CID 59637331

IUPACethyl 2-cyclohexyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]acetate
SMILESCCOC(=O)C(c1ccc(NS(C)(=O)=O)c(F)c1)C1CCCCC1
InChIInChI=1S/C17H24FNO4S/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/h9-12,16,19H,3-8H2,1-2H3
InChIKeySTOLPPZZUQSBAK-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.42
Rot. Bonds6

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

ethyl 2-cyclohexyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]acetate (PubChem CID 59637331) has the molecular formula C17H24FNO4S and a molecular weight of 357.45 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]acetate
PubChem CID59637331
Molecular FormulaC17H24FNO4S
Molecular Weight357.45 g/mol
Exact Mass357.14
IUPAC Nameethyl 2-cyclohexyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]acetate
SMILESCCOC(=O)C(c1ccc(NS(C)(=O)=O)c(F)c1)C1CCCCC1
InChIInChI=1S/C17H24FNO4S/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/h9-12,16,19H,3-8H2,1-2H3
InChIKeySTOLPPZZUQSBAK-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(2R)-2-benzyl-3-[(2R)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24754606
(2R)-2-benzyl-3-[(2S)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24755463
n-Butyl 4-aminophenylacetate
CID 12238924
3-(4-methylphenyl)-4-(4-methylsulfonamidophenyl)-2(5H)furanone
CID 16126757
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide
CID 11748895
Methyl 2-(4-aminophenyl)propionate
CID 3016109
Ethyl 2-[4-[(4-methylsulfanylphenyl)sulfonylamino]phenyl]acetate
CID 1329176
[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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]acetate?
The IUPAC name of ethyl 2-cyclohexyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]acetate (CID 59637331) is ethyl 2-cyclohexyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]acetate.
What is the SMILES notation for ethyl 2-cyclohexyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]acetate?
The canonical SMILES for ethyl 2-cyclohexyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]acetate is CCOC(=O)C(c1ccc(NS(C)(=O)=O)c(F)c1)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]acetate?
The InChIKey is STOLPPZZUQSBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO4S/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/h9-12,16,19H,3-8H2,1-2H3.
What are the key properties of ethyl 2-cyclohexyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]acetate?
ethyl 2-cyclohexyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]acetate has a molecular weight of 357.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]acetate is sourced from PubChem (CID 59637331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).