5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid

C12H15N3O4S2 — CID 63327974

IUPAC5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C12H15N3O4S2/c1-7(2)15-11(4-5-13-15)14-21(18,19)10-6-9(12(16)17)20-8(10)3/h4-7,14H,1-3H3,(H,16,17)
InChIKeyNUNDJLUKFYTQIG-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.33
Rot. Bonds5

About 5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid

5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63327974) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID63327974
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Name5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C12H15N3O4S2/c1-7(2)15-11(4-5-13-15)14-21(18,19)10-6-9(12(16)17)20-8(10)3/h4-7,14H,1-3H3,(H,16,17)
InChIKeyNUNDJLUKFYTQIG-UHFFFAOYSA-N
XLogP2.33
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 63327974) is 5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is NUNDJLUKFYTQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-7(2)15-11(4-5-13-15)14-21(18,19)10-6-9(12(16)17)20-8(10)3/h4-7,14H,1-3H3,(H,16,17).
What are the key properties of 5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63327974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).