ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate

C17H15F4NO6S — CID 151740078

IUPACethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate
SMILESCCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(F)c2)ccc1OC(F)(F)F
InChIInChI=1S/C17H15F4NO6S/c1-3-27-16(23)12-9-11(5-7-14(12)28-17(19,20)21)29(24,25)22-10-4-6-15(26-2)13(18)8-10/h4-9,22H,3H2,1-2H3
InChIKeyRMIMNHSNOLNBKU-UHFFFAOYSA-N
MW437.37 g/mol
LogP3.71
Rot. Bonds7

About ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate

ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate (PubChem CID 151740078) has the molecular formula C17H15F4NO6S and a molecular weight of 437.37 g/mol. Its IUPAC name is ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Nameethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate
PubChem CID151740078
Molecular FormulaC17H15F4NO6S
Molecular Weight437.37 g/mol
Exact Mass437.06
IUPAC Nameethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate
SMILESCCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(F)c2)ccc1OC(F)(F)F
InChIInChI=1S/C17H15F4NO6S/c1-3-27-16(23)12-9-11(5-7-14(12)28-17(19,20)21)29(24,25)22-10-4-6-15(26-2)13(18)8-10/h4-9,22H,3H2,1-2H3
InChIKeyRMIMNHSNOLNBKU-UHFFFAOYSA-N
XLogP3.71
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate
CID 28633152
ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate
CID 150284750
ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate
CID 134640978
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 43380676
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
ethyl 5-[(3,4-dimethoxyphenyl)sulfamoyl]-2,3,4-trifluorobenzoate
CID 139894037
diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773009
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 38011078

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate?
The IUPAC name of ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate (CID 151740078) is ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate.
What is the SMILES notation for ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate?
The canonical SMILES for ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate is CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(F)c2)ccc1OC(F)(F)F.
What is the InChIKey of ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate?
The InChIKey is RMIMNHSNOLNBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO6S/c1-3-27-16(23)12-9-11(5-7-14(12)28-17(19,20)21)29(24,25)22-10-4-6-15(26-2)13(18)8-10/h4-9,22H,3H2,1-2H3.
What are the key properties of ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate?
ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate has a molecular weight of 437.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate is sourced from PubChem (CID 151740078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).