methyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate

C12H10O6S3 — CID 2251704

IUPACmethyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)OC)s2)s1
InChIInChI=1S/C12H10O6S3/c1-17-11(13)7-3-5-9(19-7)21(15,16)10-6-4-8(20-10)12(14)18-2/h3-6H,1-2H3
InChIKeyOFQJNSBMNNJDBK-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.22
Rot. Bonds4

About methyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate

methyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate (PubChem CID 2251704) has the molecular formula C12H10O6S3 and a molecular weight of 346.41 g/mol. Its IUPAC name is methyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate
PubChem CID2251704
Molecular FormulaC12H10O6S3
Molecular Weight346.41 g/mol
Exact Mass345.96
IUPAC Namemethyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)OC)s2)s1
InChIInChI=1S/C12H10O6S3/c1-17-11(13)7-3-5-9(19-7)21(15,16)10-6-4-8(20-10)12(14)18-2/h3-6H,1-2H3
InChIKeyOFQJNSBMNNJDBK-UHFFFAOYSA-N
XLogP2.22
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate (CID 2251704) is methyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)OC)s2)s1.
What is the InChIKey of methyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate?
The InChIKey is OFQJNSBMNNJDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O6S3/c1-17-11(13)7-3-5-9(19-7)21(15,16)10-6-4-8(20-10)12(14)18-2/h3-6H,1-2H3.
What are the key properties of methyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate?
methyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate has a molecular weight of 346.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-methoxycarbonylthiophen-2-yl)sulfonylthiophene-2-carboxylate is sourced from PubChem (CID 2251704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).