methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate

C14H11F2NO4S — CID 8500923

IUPACmethyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO4S/c1-21-14(18)10-4-2-3-5-13(10)22(19,20)17-9-6-7-11(15)12(16)8-9/h2-8,17H,1H3
InChIKeyODMUHOHUKOIKKW-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.55
Rot. Bonds4

About methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate

methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate (PubChem CID 8500923) has the molecular formula C14H11F2NO4S and a molecular weight of 327.31 g/mol. Its IUPAC name is methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
PubChem CID8500923
Molecular FormulaC14H11F2NO4S
Molecular Weight327.31 g/mol
Exact Mass327.04
IUPAC Namemethyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO4S/c1-21-14(18)10-4-2-3-5-13(10)22(19,20)17-9-6-7-11(15)12(16)8-9/h2-8,17H,1H3
InChIKeyODMUHOHUKOIKKW-UHFFFAOYSA-N
XLogP2.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3,5-difluorophenyl)sulfamoyl]benzoate
CID 71900680
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-[[4-methyl-3-(methylsulfamoyl)phenyl]sulfamoyl]benzoate
CID 8519727
methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 8523413
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491
methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate
CID 33490699
methyl 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfamoyl]benzoate
CID 2445690
methyl 2-(1,3-benzothiazol-6-ylsulfamoyl)benzoate
CID 3796788
methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
CID 54141617
methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate
CID 3831628
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
methyl 2-[[2-(3,4-difluoroanilino)-2-oxoacetyl]amino]benzoate
CID 108987505

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate (CID 8500923) is methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate?
The InChIKey is ODMUHOHUKOIKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4S/c1-21-14(18)10-4-2-3-5-13(10)22(19,20)17-9-6-7-11(15)12(16)8-9/h2-8,17H,1H3.
What are the key properties of methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate?
methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate has a molecular weight of 327.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 8500923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).