5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid

C12H15N3O4S2 — CID 63328643

IUPAC5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NC(C)Cn1cccn1
InChIInChI=1S/C12H15N3O4S2/c1-8(7-15-5-3-4-13-15)14-21(18,19)11-6-10(12(16)17)20-9(11)2/h3-6,8,14H,7H2,1-2H3,(H,16,17)
InChIKeyPQFAOQFZLZTMKZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.32
Rot. Bonds6

About 5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid

5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 63328643) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID63328643
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Name5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NC(C)Cn1cccn1
InChIInChI=1S/C12H15N3O4S2/c1-8(7-15-5-3-4-13-15)14-21(18,19)11-6-10(12(16)17)20-9(11)2/h3-6,8,14H,7H2,1-2H3,(H,16,17)
InChIKeyPQFAOQFZLZTMKZ-UHFFFAOYSA-N
XLogP1.32
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 63328643) is 5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NC(C)Cn1cccn1.
What is the InChIKey of 5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is PQFAOQFZLZTMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-8(7-15-5-3-4-13-15)14-21(18,19)11-6-10(12(16)17)20-9(11)2/h3-6,8,14H,7H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 63328643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).