methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate

C7H7ClO5S2 — CID 18434811

IUPACmethyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate
SMILESCOC(=O)c1scc(OC)c1S(=O)(=O)Cl
InChIInChI=1S/C7H7ClO5S2/c1-12-4-3-14-5(7(9)13-2)6(4)15(8,10)11/h3H,1-2H3
InChIKeyDBSSPOPFPWNFJV-UHFFFAOYSA-N
MW270.71 g/mol
LogP1.47
Rot. Bonds3

About methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate

methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate (PubChem CID 18434811) has the molecular formula C7H7ClO5S2 and a molecular weight of 270.71 g/mol. Its IUPAC name is methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate
PubChem CID18434811
Molecular FormulaC7H7ClO5S2
Molecular Weight270.71 g/mol
Exact Mass269.94
IUPAC Namemethyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate
SMILESCOC(=O)c1scc(OC)c1S(=O)(=O)Cl
InChIInChI=1S/C7H7ClO5S2/c1-12-4-3-14-5(7(9)13-2)6(4)15(8,10)11/h3H,1-2H3
InChIKeyDBSSPOPFPWNFJV-UHFFFAOYSA-N
XLogP1.47
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3,4-dimethoxythiophene-2-carboxylate
CID 167832202
methyl 3-chloro-4-chlorosulfonylthiophene-2-carboxylate
CID 166081388
propan-2-yl 3-chlorosulfonyl-4-(trifluoromethoxy)thiophene-2-carboxylate
CID 18434602
methyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate
CID 16639977
propyl 3-chlorosulfonyl-4-(trifluoromethoxy)thiophene-2-carboxylate
CID 18434638
ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate
CID 18434703
methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 140994408
methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate
CID 102749171
methyl 5-chlorosulfonylthiophene-3-carboxylate
CID 43414198
methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749254
propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate
CID 18434630
methyl 4-chlorosulfonyl-2-methylthiophene-3-carboxylate
CID 172915706

Frequently Asked Questions

What is the IUPAC name of methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate?
The IUPAC name of methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate (CID 18434811) is methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate.
What is the SMILES notation for methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate?
The canonical SMILES for methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate is COC(=O)c1scc(OC)c1S(=O)(=O)Cl.
What is the InChIKey of methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate?
The InChIKey is DBSSPOPFPWNFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO5S2/c1-12-4-3-14-5(7(9)13-2)6(4)15(8,10)11/h3H,1-2H3.
What are the key properties of methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate?
methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate has a molecular weight of 270.71 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate is sourced from PubChem (CID 18434811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).