methyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

C15H14F3NO4S2 — CID 2740345

IUPACmethyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(C(F)(F)F)c(-c2ccccc2)c1S(=O)(=O)N(C)C
InChIInChI=1S/C15H14F3NO4S2/c1-19(2)25(21,22)12-10(9-7-5-4-6-8-9)13(15(16,17)18)24-11(12)14(20)23-3/h4-8H,1-3H3
InChIKeyFWCRQOPEZTZHIL-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.47
Rot. Bonds4

About methyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

methyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate (PubChem CID 2740345) has the molecular formula C15H14F3NO4S2 and a molecular weight of 393.41 g/mol. Its IUPAC name is methyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
PubChem CID2740345
Molecular FormulaC15H14F3NO4S2
Molecular Weight393.41 g/mol
Exact Mass393.03
IUPAC Namemethyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(C(F)(F)F)c(-c2ccccc2)c1S(=O)(=O)N(C)C
InChIInChI=1S/C15H14F3NO4S2/c1-19(2)25(21,22)12-10(9-7-5-4-6-8-9)13(15(16,17)18)24-11(12)14(20)23-3/h4-8H,1-3H3
InChIKeyFWCRQOPEZTZHIL-UHFFFAOYSA-N
XLogP3.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate (CID 2740345) is methyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is COC(=O)c1sc(C(F)(F)F)c(-c2ccccc2)c1S(=O)(=O)N(C)C.
What is the InChIKey of methyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The InChIKey is FWCRQOPEZTZHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4S2/c1-19(2)25(21,22)12-10(9-7-5-4-6-8-9)13(15(16,17)18)24-11(12)14(20)23-3/h4-8H,1-3H3.
What are the key properties of methyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
methyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate has a molecular weight of 393.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylsulfamoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is sourced from PubChem (CID 2740345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).