methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate

C16H14F3NO6S — CID 3811980

IUPACmethyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1OC
InChIInChI=1S/C16H14F3NO6S/c1-24-13-9-10(7-8-11(13)15(21)25-2)20-27(22,23)14-6-4-3-5-12(14)26-16(17,18)19/h3-9,20H,1-2H3
InChIKeyNMAGKIPNLFVNBL-UHFFFAOYSA-N
MW405.35 g/mol
LogP3.18
Rot. Bonds6

About methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate

methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate (PubChem CID 3811980) has the molecular formula C16H14F3NO6S and a molecular weight of 405.35 g/mol. Its IUPAC name is methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
PubChem CID3811980
Molecular FormulaC16H14F3NO6S
Molecular Weight405.35 g/mol
Exact Mass405.05
IUPAC Namemethyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1OC
InChIInChI=1S/C16H14F3NO6S/c1-24-13-9-10(7-8-11(13)15(21)25-2)20-27(22,23)14-6-4-3-5-12(14)26-16(17,18)19/h3-9,20H,1-2H3
InChIKeyNMAGKIPNLFVNBL-UHFFFAOYSA-N
XLogP3.18
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]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-bromophenyl)sulfonylamino]-2-methoxybenzoate
CID 25043144
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3841687
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491
methyl 5-methoxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 47951627
methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3481209
methyl 4-(chlorosulfonylamino)-2-methoxybenzoate
CID 175564431
2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 35185568
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
CID 18274848
methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate
CID 25045124
N-methyl-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 3715374
methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 8523413
1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea
CID 25348337

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate?
The IUPAC name of methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate (CID 3811980) is methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate?
The canonical SMILES for methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate is COC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1OC.
What is the InChIKey of methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate?
The InChIKey is NMAGKIPNLFVNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO6S/c1-24-13-9-10(7-8-11(13)15(21)25-2)20-27(22,23)14-6-4-3-5-12(14)26-16(17,18)19/h3-9,20H,1-2H3.
What are the key properties of methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate?
methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate has a molecular weight of 405.35 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 3811980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).