5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid

C11H12N2O4S2 — CID 79090371

IUPAC5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(C)n1NS(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H12N2O4S2/c1-7-3-4-8(2)13(7)12-19(16,17)10-6-5-9(18-10)11(14)15/h3-6,12H,1-2H3,(H,14,15)
InChIKeyBGSDJSIMMXSGRU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.80
Rot. Bonds4

About 5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid

5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 79090371) has the molecular formula C11H12N2O4S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID79090371
Molecular FormulaC11H12N2O4S2
Molecular Weight300.36 g/mol
Exact Mass300.02
IUPAC Name5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(C)n1NS(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H12N2O4S2/c1-7-3-4-8(2)13(7)12-19(16,17)10-6-5-9(18-10)11(14)15/h3-6,12H,1-2H3,(H,14,15)
InChIKeyBGSDJSIMMXSGRU-UHFFFAOYSA-N
XLogP1.80
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 79090371) is 5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid is Cc1ccc(C)n1NS(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is BGSDJSIMMXSGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S2/c1-7-3-4-8(2)13(7)12-19(16,17)10-6-5-9(18-10)11(14)15/h3-6,12H,1-2H3,(H,14,15).
What are the key properties of 5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid?
5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 79090371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).