3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid

C10H9N3O4S2 — CID 43616094

IUPAC3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cnccn2)sc1C(=O)O
InChIInChI=1S/C10H9N3O4S2/c1-6-4-8(18-9(6)10(14)15)19(16,17)13-7-5-11-2-3-12-7/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyIEHAVHSOVXXWIV-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.35
Rot. Bonds4

About 3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid

3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 43616094) has the molecular formula C10H9N3O4S2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID43616094
Molecular FormulaC10H9N3O4S2
Molecular Weight299.33 g/mol
Exact Mass299.00
IUPAC Name3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cnccn2)sc1C(=O)O
InChIInChI=1S/C10H9N3O4S2/c1-6-4-8(18-9(6)10(14)15)19(16,17)13-7-5-11-2-3-12-7/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyIEHAVHSOVXXWIV-UHFFFAOYSA-N
XLogP1.35
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 43616094) is 3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2cnccn2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is IEHAVHSOVXXWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S2/c1-6-4-8(18-9(6)10(14)15)19(16,17)13-7-5-11-2-3-12-7/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid?
3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43616094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).