methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate

C15H12F3NO5S — CID 3565491

IUPACmethyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H12F3NO5S/c1-23-14(20)12-7-2-3-8-13(12)25(21,22)19-10-5-4-6-11(9-10)24-15(16,17)18/h2-9,19H,1H3
InChIKeyJIMGWOBSICNPQP-UHFFFAOYSA-N
MW375.32 g/mol
LogP3.17
Rot. Bonds5

About methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate

methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate (PubChem CID 3565491) has the molecular formula C15H12F3NO5S and a molecular weight of 375.32 g/mol. Its IUPAC name is methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
PubChem CID3565491
Molecular FormulaC15H12F3NO5S
Molecular Weight375.32 g/mol
Exact Mass375.04
IUPAC Namemethyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H12F3NO5S/c1-23-14(20)12-7-2-3-8-13(12)25(21,22)19-10-5-4-6-11(9-10)24-15(16,17)18/h2-9,19H,1H3
InChIKeyJIMGWOBSICNPQP-UHFFFAOYSA-N
XLogP3.17
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]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 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3811980
methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
CID 8500923
methyl 2-[(3,5-difluorophenyl)sulfamoyl]benzoate
CID 71900680
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 60531938
5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide
CID 60808101
methyl 5-methoxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 47951627
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
methyl 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfamoyl]benzoate
CID 2445690
methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 8523413
methyl 2-[[4-methyl-3-(methylsulfamoyl)phenyl]sulfamoyl]benzoate
CID 8519727

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate (CID 3565491) is methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate?
The InChIKey is JIMGWOBSICNPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO5S/c1-23-14(20)12-7-2-3-8-13(12)25(21,22)19-10-5-4-6-11(9-10)24-15(16,17)18/h2-9,19H,1H3.
What are the key properties of methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate?
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate has a molecular weight of 375.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 3565491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).