methyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate

C11H14F3NO4S2 — CID 102748588

IUPACmethyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1C(=O)OC
InChIInChI=1S/C11H14F3NO4S2/c1-4-15(6-11(12,13)14)21(17,18)9-7(2)5-20-8(9)10(16)19-3/h5H,4,6H2,1-3H3
InChIKeyKJLWDCVXWGJQIN-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.42
Rot. Bonds5

About methyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate

methyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate (PubChem CID 102748588) has the molecular formula C11H14F3NO4S2 and a molecular weight of 345.36 g/mol. Its IUPAC name is methyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate
PubChem CID102748588
Molecular FormulaC11H14F3NO4S2
Molecular Weight345.36 g/mol
Exact Mass345.03
IUPAC Namemethyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1C(=O)OC
InChIInChI=1S/C11H14F3NO4S2/c1-4-15(6-11(12,13)14)21(17,18)9-7(2)5-20-8(9)10(16)19-3/h5H,4,6H2,1-3H3
InChIKeyKJLWDCVXWGJQIN-UHFFFAOYSA-N
XLogP2.42
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
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-(chlorosulfonyl)-4-methylthiophene-2-carboxylate
CID 18434694
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-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate (CID 102748588) is methyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate is CCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1C(=O)OC.
What is the InChIKey of methyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The InChIKey is KJLWDCVXWGJQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO4S2/c1-4-15(6-11(12,13)14)21(17,18)9-7(2)5-20-8(9)10(16)19-3/h5H,4,6H2,1-3H3.
What are the key properties of methyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
methyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate has a molecular weight of 345.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 102748588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).