5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid

C7H7NO6S2 — CID 139663921

IUPAC5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid
SMILESCOC(=O)c1sc(C(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C7H7NO6S2/c1-14-7(11)5-4(16(8,12)13)2-3(15-5)6(9)10/h2H,1H3,(H,9,10)(H2,8,12,13)
InChIKeyHGNGNUIGTASVHF-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.12
Rot. Bonds3

About 5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid

5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid (PubChem CID 139663921) has the molecular formula C7H7NO6S2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid
PubChem CID139663921
Molecular FormulaC7H7NO6S2
Molecular Weight265.27 g/mol
Exact Mass264.97
IUPAC Name5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid
SMILESCOC(=O)c1sc(C(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C7H7NO6S2/c1-14-7(11)5-4(16(8,12)13)2-3(15-5)6(9)10/h2H,1H3,(H,9,10)(H2,8,12,13)
InChIKeyHGNGNUIGTASVHF-UHFFFAOYSA-N
XLogP-0.12
TPSA123.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid?
The IUPAC name of 5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid (CID 139663921) is 5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid?
The canonical SMILES for 5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid is COC(=O)c1sc(C(=O)O)cc1S(N)(=O)=O.
What is the InChIKey of 5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid?
The InChIKey is HGNGNUIGTASVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO6S2/c1-14-7(11)5-4(16(8,12)13)2-3(15-5)6(9)10/h2H,1H3,(H,9,10)(H2,8,12,13).
What are the key properties of 5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid?
5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid is sourced from PubChem (CID 139663921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).