methyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate

C9H11F2NO4S2 — CID 102749106

IUPACmethyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCC(F)F
InChIInChI=1S/C9H11F2NO4S2/c1-5-4-17-7(9(13)16-2)8(5)18(14,15)12-3-6(10)11/h4,6,12H,3H2,1-2H3
InChIKeyUZTJQTRRICMZKO-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.39
Rot. Bonds5

About methyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate

methyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate (PubChem CID 102749106) has the molecular formula C9H11F2NO4S2 and a molecular weight of 299.32 g/mol. Its IUPAC name is methyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate
PubChem CID102749106
Molecular FormulaC9H11F2NO4S2
Molecular Weight299.32 g/mol
Exact Mass299.01
IUPAC Namemethyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCC(F)F
InChIInChI=1S/C9H11F2NO4S2/c1-5-4-17-7(9(13)16-2)8(5)18(14,15)12-3-6(10)11/h4,6,12H,3H2,1-2H3
InChIKeyUZTJQTRRICMZKO-UHFFFAOYSA-N
XLogP1.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate
CID 11299311
3-Thiophenecarboxylic acid, 4-(isocyanatosulfonyl)-5-methyl-, methyl ester
CID 57957831
Methyl 3-{[2-(4-fluorophenyl)ethyl]sulfamoyl}thiophene-2-carboxylate
CID 16766382
Propyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 17887701
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
Methyl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434698
Propyl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434722
Ethyl 3-chlorosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434747

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate (CID 102749106) is methyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NCC(F)F.
What is the InChIKey of methyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate?
The InChIKey is UZTJQTRRICMZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO4S2/c1-5-4-17-7(9(13)16-2)8(5)18(14,15)12-3-6(10)11/h4,6,12H,3H2,1-2H3.
What are the key properties of methyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate?
methyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate has a molecular weight of 299.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 102749106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).