ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate

C8H8F3NO4S2 — CID 18434574

IUPACethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1scc(C(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C8H8F3NO4S2/c1-2-16-7(13)5-6(18(12,14)15)4(3-17-5)8(9,10)11/h3H,2H2,1H3,(H2,12,14,15)
InChIKeySDBXVBMEHJENPD-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.59
Rot. Bonds3

About ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate

ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate (PubChem CID 18434574) has the molecular formula C8H8F3NO4S2 and a molecular weight of 303.28 g/mol. Its IUPAC name is ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
PubChem CID18434574
Molecular FormulaC8H8F3NO4S2
Molecular Weight303.28 g/mol
Exact Mass302.98
IUPAC Nameethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1scc(C(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C8H8F3NO4S2/c1-2-16-7(13)5-6(18(12,14)15)4(3-17-5)8(9,10)11/h3H,2H2,1H3,(H2,12,14,15)
InChIKeySDBXVBMEHJENPD-UHFFFAOYSA-N
XLogP1.59
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate
CID 18434656
ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate
CID 18434703
ethyl 3-iodo-4-methylthiophene-2-carboxylate
CID 131132175
5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid
CID 139663926
propyl 3-chlorosulfonyl-4-(trifluoromethoxy)thiophene-2-carboxylate
CID 18434638
ethyl 3-methoxy-4-methylthiophene-2-carboxylate
CID 70658420
4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide
CID 119021771
diethyl 3,7-bis(trifluoromethylsulfonyloxy)thieno[2,3-f][1]benzothiole-2,6-dicarboxylate
CID 132516731
propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate
CID 18434630
ethyl 1-prop-2-ynyl-4-(trifluoromethyl)pyrrole-3-carboxylate
CID 14370787
ethyl 5-amino-3-(trifluoromethyl)-1H-pyrrole-2-carboxylate
CID 141269481
ethyl 3-[(4-ethoxyphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 50791867

Frequently Asked Questions

What is the IUPAC name of ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate (CID 18434574) is ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate is CCOC(=O)c1scc(C(F)(F)F)c1S(N)(=O)=O.
What is the InChIKey of ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate?
The InChIKey is SDBXVBMEHJENPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO4S2/c1-2-16-7(13)5-6(18(12,14)15)4(3-17-5)8(9,10)11/h3H,2H2,1H3,(H2,12,14,15).
What are the key properties of ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate?
ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate has a molecular weight of 303.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate is sourced from PubChem (CID 18434574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).