methyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate

C15H12F3NO4S — CID 139007459

IUPACmethyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(F)c(F)cc1NS(=O)(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C15H12F3NO4S/c1-8-3-9(16)5-10(4-8)24(21,22)19-14-7-13(18)12(17)6-11(14)15(20)23-2/h3-7,19H,1-2H3
InChIKeyXMHHGHQYLKBXAO-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.00
Rot. Bonds4

About methyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate

methyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate (PubChem CID 139007459) has the molecular formula C15H12F3NO4S and a molecular weight of 359.33 g/mol. Its IUPAC name is methyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate
PubChem CID139007459
Molecular FormulaC15H12F3NO4S
Molecular Weight359.33 g/mol
Exact Mass359.04
IUPAC Namemethyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(F)c(F)cc1NS(=O)(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C15H12F3NO4S/c1-8-3-9(16)5-10(4-8)24(21,22)19-14-7-13(18)12(17)6-11(14)15(20)23-2/h3-7,19H,1-2H3
InChIKeyXMHHGHQYLKBXAO-UHFFFAOYSA-N
XLogP3.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-fluoro-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372761
methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate
CID 5184954
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 8603632
[4-[(2,5-difluoro-4-methoxycarbonylphenyl)sulfamoyl]phenoxy]boronic acid
CID 142768643
methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372369
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
dimethyl 5-fluoro-2-methylbenzene-1,3-dicarboxylate
CID 10922200
methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 2480010
methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate
CID 39977655
methyl 3,5-difluoro-2-methylbenzoate
CID 74890536
methyl 2-[(4-iodophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 3486727
methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
CID 807062

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate (CID 139007459) is methyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate is COC(=O)c1cc(F)c(F)cc1NS(=O)(=O)c1cc(C)cc(F)c1.
What is the InChIKey of methyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate?
The InChIKey is XMHHGHQYLKBXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4S/c1-8-3-9(16)5-10(4-8)24(21,22)19-14-7-13(18)12(17)6-11(14)15(20)23-2/h3-7,19H,1-2H3.
What are the key properties of methyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate?
methyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate has a molecular weight of 359.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-difluoro-2-[(3-fluoro-5-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 139007459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).