methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate

C15H13F2NO4S — CID 92681454

IUPACmethyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H13F2NO4S/c1-22-15(19)11-4-2-10(3-5-11)9-23(20,21)18-14-7-6-12(16)8-13(14)17/h2-8,18H,9H2,1H3
InChIKeyGIGCPEHTSMNFJS-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.69
Rot. Bonds5

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

methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate (PubChem CID 92681454) has the molecular formula C15H13F2NO4S and a molecular weight of 341.34 g/mol. Its IUPAC name is methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate
PubChem CID92681454
Molecular FormulaC15H13F2NO4S
Molecular Weight341.34 g/mol
Exact Mass341.05
IUPAC Namemethyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H13F2NO4S/c1-22-15(19)11-4-2-10(3-5-11)9-23(20,21)18-14-7-6-12(16)8-13(14)17/h2-8,18H,9H2,1H3
InChIKeyGIGCPEHTSMNFJS-UHFFFAOYSA-N
XLogP2.69
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(2,4-difluorophenyl)methyl]benzoate
CID 101156425
methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate
CID 28632724
methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate
CID 92683512
N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339
N-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide
CID 110604130
4-[[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]sulfamoylmethyl]benzoic acid
CID 138697752
methyl 4-(benzylsulfonylamino)benzoate
CID 743645
N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
CID 110673847
methyl 4-[[(2R)-2-hydroxypropyl]sulfamoylmethyl]benzoate
CID 83030316
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
1-[4-(aminomethyl)phenyl]-N-(2-fluoro-4-methylphenyl)methanesulfonamide
CID 28892351
3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 63190339

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate?
The IUPAC name of methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate (CID 92681454) is methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate.
What is the SMILES notation for methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate?
The canonical SMILES for methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate is COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate?
The InChIKey is GIGCPEHTSMNFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO4S/c1-22-15(19)11-4-2-10(3-5-11)9-23(20,21)18-14-7-6-12(16)8-13(14)17/h2-8,18H,9H2,1H3.
What are the key properties of methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate?
methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate has a molecular weight of 341.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate is sourced from PubChem (CID 92681454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).