ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate

C16H13ClF2O4S — CID 142175698

IUPACethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate
SMILESCCOC(=O)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClF2O4S/c1-2-23-16(20)15(13-9-11(18)5-8-14(13)19)24(21,22)12-6-3-10(17)4-7-12/h3-9,15H,2H2,1H3
InChIKeyHQLORGJFOUGKSD-UHFFFAOYSA-N
MW374.79 g/mol
LogP3.70
Rot. Bonds5

About ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate

ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate (PubChem CID 142175698) has the molecular formula C16H13ClF2O4S and a molecular weight of 374.79 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate
PubChem CID142175698
Molecular FormulaC16H13ClF2O4S
Molecular Weight374.79 g/mol
Exact Mass374.02
IUPAC Nameethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate
SMILESCCOC(=O)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClF2O4S/c1-2-23-16(20)15(13-9-11(18)5-8-14(13)19)24(21,22)12-6-3-10(17)4-7-12/h3-9,15H,2H2,1H3
InChIKeyHQLORGJFOUGKSD-UHFFFAOYSA-N
XLogP3.70
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.79
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(benzenesulfonyl)-2-(4-chloro-2-iodophenyl)acetate
CID 138974949
2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine
CID 16681305
ethyl 2-[[5-chloro-3-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate
CID 140509497
ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate
CID 58734245
ethyl 3-(2,5-difluorophenyl)-2-fluoro-3-hydroxypropanoate
CID 79366836
1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole
CID 59750748
2-[1-(4-chlorophenyl)sulfonyl-3-(2-methylphenyl)propyl]-1,4-difluorobenzene
CID 23028766
2-[1-(4-chlorophenyl)sulfonyl-6-methylsulfonylhexyl]-1,4-difluorobenzene
CID 59750834
tert-butyl N-[5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)pentyl]-N-methylsulfanylcarbamate
CID 89262916
propyl N-[4-(2,5-difluorophenyl)-4-(4-methylphenyl)sulfonylbutyl]carbamate
CID 154539353
ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate
CID 50892875
2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene
CID 23028629

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate (CID 142175698) is ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate is CCOC(=O)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate?
The InChIKey is HQLORGJFOUGKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O4S/c1-2-23-16(20)15(13-9-11(18)5-8-14(13)19)24(21,22)12-6-3-10(17)4-7-12/h3-9,15H,2H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate?
ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate has a molecular weight of 374.79 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate is sourced from PubChem (CID 142175698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).