methyl 5-sulfamoylthiophene-2-carboxylate

C6H7NO4S2 — CID 13425727

IUPACmethyl 5-sulfamoylthiophene-2-carboxylate
SMILESCOC(=O)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C6H7NO4S2/c1-11-6(8)4-2-3-5(12-4)13(7,9)10/h2-3H,1H3,(H2,7,9,10)
InChIKeyNAMOJFQLKDRNDV-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.18
Rot. Bonds2

About methyl 5-sulfamoylthiophene-2-carboxylate

methyl 5-sulfamoylthiophene-2-carboxylate (PubChem CID 13425727) has the molecular formula C6H7NO4S2 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 5-sulfamoylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-sulfamoylthiophene-2-carboxylate
PubChem CID13425727
Molecular FormulaC6H7NO4S2
Molecular Weight221.26 g/mol
Exact Mass220.98
IUPAC Namemethyl 5-sulfamoylthiophene-2-carboxylate
SMILESCOC(=O)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C6H7NO4S2/c1-11-6(8)4-2-3-5(12-4)13(7,9)10/h2-3H,1H3,(H2,7,9,10)
InChIKeyNAMOJFQLKDRNDV-UHFFFAOYSA-N
XLogP0.18
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-sulfamoylthiophene-2-carboxylate?
The IUPAC name of methyl 5-sulfamoylthiophene-2-carboxylate (CID 13425727) is methyl 5-sulfamoylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-sulfamoylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-sulfamoylthiophene-2-carboxylate is COC(=O)c1ccc(S(N)(=O)=O)s1.
What is the InChIKey of methyl 5-sulfamoylthiophene-2-carboxylate?
The InChIKey is NAMOJFQLKDRNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4S2/c1-11-6(8)4-2-3-5(12-4)13(7,9)10/h2-3H,1H3,(H2,7,9,10).
What are the key properties of methyl 5-sulfamoylthiophene-2-carboxylate?
methyl 5-sulfamoylthiophene-2-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-sulfamoylthiophene-2-carboxylate is sourced from PubChem (CID 13425727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).