3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid

C9H8N2O4S2 — CID 79090175

IUPAC3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nn1cccc1
InChIInChI=1S/C9H8N2O4S2/c12-9(13)8-7(3-6-16-8)17(14,15)10-11-4-1-2-5-11/h1-6,10H,(H,12,13)
InChIKeyNUMJQSVPZCIGDJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.18
Rot. Bonds4

About 3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid

3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 79090175) has the molecular formula C9H8N2O4S2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID79090175
Molecular FormulaC9H8N2O4S2
Molecular Weight272.31 g/mol
Exact Mass271.99
IUPAC Name3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nn1cccc1
InChIInChI=1S/C9H8N2O4S2/c12-9(13)8-7(3-6-16-8)17(14,15)10-11-4-1-2-5-11/h1-6,10H,(H,12,13)
InChIKeyNUMJQSVPZCIGDJ-UHFFFAOYSA-N
XLogP1.18
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid (CID 79090175) is 3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)Nn1cccc1.
What is the InChIKey of 3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is NUMJQSVPZCIGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S2/c12-9(13)8-7(3-6-16-8)17(14,15)10-11-4-1-2-5-11/h1-6,10H,(H,12,13).
What are the key properties of 3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid?
3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 79090175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).