ethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate

C9H11F2NO4S2 — CID 63618032

IUPACethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NS(=O)(=O)C(F)F
InChIInChI=1S/C9H11F2NO4S2/c1-3-16-8(13)6-4-5(2)17-7(6)12-18(14,15)9(10)11/h4,9,12H,3H2,1-2H3
InChIKeyISCYVCDRNUMEFJ-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.20
Rot. Bonds5

About ethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate

ethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate (PubChem CID 63618032) has the molecular formula C9H11F2NO4S2 and a molecular weight of 299.32 g/mol. Its IUPAC name is ethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate
PubChem CID63618032
Molecular FormulaC9H11F2NO4S2
Molecular Weight299.32 g/mol
Exact Mass299.01
IUPAC Nameethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NS(=O)(=O)C(F)F
InChIInChI=1S/C9H11F2NO4S2/c1-3-16-8(13)6-4-5(2)17-7(6)12-18(14,15)9(10)11/h4,9,12H,3H2,1-2H3
InChIKeyISCYVCDRNUMEFJ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate (CID 63618032) is ethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NS(=O)(=O)C(F)F.
What is the InChIKey of ethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate?
The InChIKey is ISCYVCDRNUMEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO4S2/c1-3-16-8(13)6-4-5(2)17-7(6)12-18(14,15)9(10)11/h4,9,12H,3H2,1-2H3.
What are the key properties of ethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate?
ethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate has a molecular weight of 299.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethylsulfonylamino)-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 63618032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).