5-methyl-4-sulfamoylthiophene-3-carboxylic acid

C6H7NO4S2 — CID 139597506

IUPAC5-methyl-4-sulfamoylthiophene-3-carboxylic acid
SMILESCc1scc(C(=O)O)c1S(N)(=O)=O
InChIInChI=1S/C6H7NO4S2/c1-3-5(13(7,10)11)4(2-12-3)6(8)9/h2H,1H3,(H,8,9)(H2,7,10,11)
InChIKeyVPXWITYNJWPYDU-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.40
Rot. Bonds2

About 5-methyl-4-sulfamoylthiophene-3-carboxylic acid

5-methyl-4-sulfamoylthiophene-3-carboxylic acid (PubChem CID 139597506) has the molecular formula C6H7NO4S2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-methyl-4-sulfamoylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-sulfamoylthiophene-3-carboxylic acid
PubChem CID139597506
Molecular FormulaC6H7NO4S2
Molecular Weight221.26 g/mol
Exact Mass220.98
IUPAC Name5-methyl-4-sulfamoylthiophene-3-carboxylic acid
SMILESCc1scc(C(=O)O)c1S(N)(=O)=O
InChIInChI=1S/C6H7NO4S2/c1-3-5(13(7,10)11)4(2-12-3)6(8)9/h2H,1H3,(H,8,9)(H2,7,10,11)
InChIKeyVPXWITYNJWPYDU-UHFFFAOYSA-N
XLogP0.40
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-sulfamoylthiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-4-sulfamoylthiophene-3-carboxylic acid (CID 139597506) is 5-methyl-4-sulfamoylthiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-sulfamoylthiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-sulfamoylthiophene-3-carboxylic acid is Cc1scc(C(=O)O)c1S(N)(=O)=O.
What is the InChIKey of 5-methyl-4-sulfamoylthiophene-3-carboxylic acid?
The InChIKey is VPXWITYNJWPYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4S2/c1-3-5(13(7,10)11)4(2-12-3)6(8)9/h2H,1H3,(H,8,9)(H2,7,10,11).
What are the key properties of 5-methyl-4-sulfamoylthiophene-3-carboxylic acid?
5-methyl-4-sulfamoylthiophene-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-sulfamoylthiophene-3-carboxylic acid is sourced from PubChem (CID 139597506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).