methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate

C14H12F3NO5S2 — CID 3750756

IUPACmethyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H12F3NO5S2/c1-22-13(19)12-11(6-7-24-12)25(20,21)18-8-9-4-2-3-5-10(9)23-14(15,16)17/h2-7,18H,8H2,1H3
InChIKeyIQOALGOAXYZJAI-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.91
Rot. Bonds6

About methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate

methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate (PubChem CID 3750756) has the molecular formula C14H12F3NO5S2 and a molecular weight of 395.38 g/mol. Its IUPAC name is methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate
PubChem CID3750756
Molecular FormulaC14H12F3NO5S2
Molecular Weight395.38 g/mol
Exact Mass395.01
IUPAC Namemethyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H12F3NO5S2/c1-22-13(19)12-11(6-7-24-12)25(20,21)18-8-9-4-2-3-5-10(9)23-14(15,16)17/h2-7,18H,8H2,1H3
InChIKeyIQOALGOAXYZJAI-UHFFFAOYSA-N
XLogP2.91
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 56765592
methyl 3-[4-(2-prop-2-enylphenoxy)but-2-ynylsulfamoyl]thiophene-2-carboxylate
CID 90577142
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate
CID 18148608
4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3869376
methyl 3-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 79529174
4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide
CID 46657919
4-N,4-N-diethyl-1-N-[[2-(trifluoromethoxy)phenyl]methyl]benzene-1,4-disulfonamide
CID 24556290
methyl 3-[3-(2-fluorophenyl)prop-2-ynylsulfamoyl]thiophene-2-carboxylate
CID 90552674
methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate
CID 119101887
methyl 3-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]thiophene-2-carboxylate
CID 90577959
methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate
CID 38750833

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate (CID 3750756) is methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is IQOALGOAXYZJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO5S2/c1-22-13(19)12-11(6-7-24-12)25(20,21)18-8-9-4-2-3-5-10(9)23-14(15,16)17/h2-7,18H,8H2,1H3.
What are the key properties of methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 395.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 3750756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).