methyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate

C12H12F3N3O4S2 — CID 71808070

IUPACmethyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O4S2/c1-22-11(19)10-8(3-7-23-10)24(20,21)16-4-6-18-5-2-9(17-18)12(13,14)15/h2-3,5,7,16H,4,6H2,1H3
InChIKeyMAGYVWNVEFDGIT-UHFFFAOYSA-N
MW383.37 g/mol
LogP1.73
Rot. Bonds6

About methyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate

methyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate (PubChem CID 71808070) has the molecular formula C12H12F3N3O4S2 and a molecular weight of 383.37 g/mol. Its IUPAC name is methyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate
PubChem CID71808070
Molecular FormulaC12H12F3N3O4S2
Molecular Weight383.37 g/mol
Exact Mass383.02
IUPAC Namemethyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O4S2/c1-22-11(19)10-8(3-7-23-10)24(20,21)16-4-6-18-5-2-9(17-18)12(13,14)15/h2-3,5,7,16H,4,6H2,1H3
InChIKeyMAGYVWNVEFDGIT-UHFFFAOYSA-N
XLogP1.73
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate (CID 71808070) is methyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of methyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is MAGYVWNVEFDGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O4S2/c1-22-11(19)10-8(3-7-23-10)24(20,21)16-4-6-18-5-2-9(17-18)12(13,14)15/h2-3,5,7,16H,4,6H2,1H3.
What are the key properties of methyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 383.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 71808070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).