methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate

C9H10F3NO4S2 — CID 102747797

IUPACmethyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H10F3NO4S2/c1-5-3-18-6(8(14)17-2)7(5)19(15,16)13-4-9(10,11)12/h3,13H,4H2,1-2H3
InChIKeyXEGZRASWFCWLQC-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.68
Rot. Bonds4

About methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate

methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate (PubChem CID 102747797) has the molecular formula C9H10F3NO4S2 and a molecular weight of 317.31 g/mol. Its IUPAC name is methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate
PubChem CID102747797
Molecular FormulaC9H10F3NO4S2
Molecular Weight317.31 g/mol
Exact Mass317.00
IUPAC Namemethyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H10F3NO4S2/c1-5-3-18-6(8(14)17-2)7(5)19(15,16)13-4-9(10,11)12/h3,13H,4H2,1-2H3
InChIKeyXEGZRASWFCWLQC-UHFFFAOYSA-N
XLogP1.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate
CID 11299311
2-Thiophenecarboxylic Acid, 3-(((2-Methoxy-2-Oxoethyl)Amino)Sulfonyl)-, Methyl Ester
CID 717593
3-Thiophenecarboxylic acid, 4-(isocyanatosulfonyl)-5-methyl-, methyl ester
CID 57957831
Methyl 3-(chlorosulfonyl)-4-methylthiophene-2-carboxylate
CID 18434694
Methyl 3-[(methoxycarbonylmethyl)sulfamoyl]-5-trifluoromethyl-thiophene-2-carboxylate
CID 16639955
Propyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 17887701
Propyl 4-fluoro-3-sulfamoylthiophene-2-carboxylate
CID 17887713
Methyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434496
Ethyl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434497
Propan-2-yl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434532
Propyl 3-chlorosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434539
Ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434574

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate (CID 102747797) is methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is XEGZRASWFCWLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO4S2/c1-5-3-18-6(8(14)17-2)7(5)19(15,16)13-4-9(10,11)12/h3,13H,4H2,1-2H3.
What are the key properties of methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate?
methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 317.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 102747797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).