methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate

C16H14F3NO6S — CID 3481209

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

About methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate

methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate (PubChem CID 3481209) has the molecular formula C16H14F3NO6S and a molecular weight of 405.35 g/mol. Its IUPAC name is methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
PubChem CID3481209
Molecular FormulaC16H14F3NO6S
Molecular Weight405.35 g/mol
Exact Mass405.05
IUPAC Namemethyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C16H14F3NO6S/c1-24-12-8-7-10(15(21)25-2)9-11(12)20-27(22,23)14-6-4-3-5-13(14)26-16(17,18)19/h3-9,20H,1-2H3
InChIKeyOMQKFIFJMQCVNJ-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

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Related Compounds

methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
methyl 5-methoxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 47951627
methyl 3-(methanesulfonamido)-4-methoxybenzoate
CID 5303011
methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3811980
4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47063072
methyl 3-[(4-tert-butylphenyl)sulfonylamino]-4-methoxybenzoate
CID 3798192
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3841687
methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 3408360
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
4-methoxy-3-[(2-methylsulfonylphenyl)sulfonylamino]benzamide
CID 55901057

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate?
The IUPAC name of methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate (CID 3481209) is methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate?
The canonical SMILES for methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate is COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate?
The InChIKey is OMQKFIFJMQCVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO6S/c1-24-12-8-7-10(15(21)25-2)9-11(12)20-27(22,23)14-6-4-3-5-13(14)26-16(17,18)19/h3-9,20H,1-2H3.
What are the key properties of methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate?
methyl 4-methoxy-3-[[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 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 3481209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).