methyl 3-chlorosulfonylthiophene-2-carboxylate

C6H5ClO4S2 — CID 2736733

IUPACmethyl 3-chlorosulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Cl
InChIInChI=1S/C6H5ClO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3
InChIKeyPJVJBDAUWILEOG-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.46
Rot. Bonds2

About methyl 3-chlorosulfonylthiophene-2-carboxylate

methyl 3-chlorosulfonylthiophene-2-carboxylate (PubChem CID 2736733) has the molecular formula C6H5ClO4S2 and a molecular weight of 240.69 g/mol. Its IUPAC name is methyl 3-chlorosulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chlorosulfonylthiophene-2-carboxylate
PubChem CID2736733
Molecular FormulaC6H5ClO4S2
Molecular Weight240.69 g/mol
Exact Mass239.93
IUPAC Namemethyl 3-chlorosulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Cl
InChIInChI=1S/C6H5ClO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3
InChIKeyPJVJBDAUWILEOG-UHFFFAOYSA-N
XLogP1.46
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chlorosulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 3-chlorosulfonylthiophene-2-carboxylate (CID 2736733) is methyl 3-chlorosulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-chlorosulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-chlorosulfonylthiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Cl.
What is the InChIKey of methyl 3-chlorosulfonylthiophene-2-carboxylate?
The InChIKey is PJVJBDAUWILEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3.
What are the key properties of methyl 3-chlorosulfonylthiophene-2-carboxylate?
methyl 3-chlorosulfonylthiophene-2-carboxylate has a molecular weight of 240.69 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chlorosulfonylthiophene-2-carboxylate is sourced from PubChem (CID 2736733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).