methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate

C14H9F4NO4S — CID 31808073

IUPACmethyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2F)c(F)cc1F
InChIInChI=1S/C14H9F4NO4S/c1-23-14(20)8-5-12(10(17)6-9(8)16)19-24(21,22)13-3-2-7(15)4-11(13)18/h2-6,19H,1H3
InChIKeyLNMNCVFMMBRINC-UHFFFAOYSA-N
MW363.29 g/mol
LogP2.83
Rot. Bonds4

About methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate

methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate (PubChem CID 31808073) has the molecular formula C14H9F4NO4S and a molecular weight of 363.29 g/mol. Its IUPAC name is methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate.

Molecular Properties

Compound Namemethyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate
PubChem CID31808073
Molecular FormulaC14H9F4NO4S
Molecular Weight363.29 g/mol
Exact Mass363.02
IUPAC Namemethyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2F)c(F)cc1F
InChIInChI=1S/C14H9F4NO4S/c1-23-14(20)8-5-12(10(17)6-9(8)16)19-24(21,22)13-3-2-7(15)4-11(13)18/h2-6,19H,1H3
InChIKeyLNMNCVFMMBRINC-UHFFFAOYSA-N
XLogP2.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-bromo-5-[(2,4-difluorophenyl)sulfamoyl]-4-fluorobenzoate
CID 86957052
methyl 5-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 31808235
methyl 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 87026690
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate
CID 31808270
methyl 2,4-difluoro-5-(sulfamoylamino)benzoate
CID 112573353
2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3263400
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
2,4-difluoro-N-(2-hydroxy-5-methoxyphenyl)benzenesulfonamide
CID 103760220
methyl 2,4-difluoro-5-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoate
CID 31808177
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate?
The IUPAC name of methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate (CID 31808073) is methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate.
What is the SMILES notation for methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate?
The canonical SMILES for methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate is COC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2F)c(F)cc1F.
What is the InChIKey of methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate?
The InChIKey is LNMNCVFMMBRINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO4S/c1-23-14(20)8-5-12(10(17)6-9(8)16)19-24(21,22)13-3-2-7(15)4-11(13)18/h2-6,19H,1H3.
What are the key properties of methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate?
methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate has a molecular weight of 363.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate is sourced from PubChem (CID 31808073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).