3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid

C10H11N3O4S2 — CID 54920333

IUPAC3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2ccn(C)n2)sc1C(=O)O
InChIInChI=1S/C10H11N3O4S2/c1-6-5-8(18-9(6)10(14)15)19(16,17)12-7-3-4-13(2)11-7/h3-5H,1-2H3,(H,11,12)(H,14,15)
InChIKeySSWLOZAPKRWJFS-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.29
Rot. Bonds4

About 3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid

3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 54920333) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID54920333
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Name3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2ccn(C)n2)sc1C(=O)O
InChIInChI=1S/C10H11N3O4S2/c1-6-5-8(18-9(6)10(14)15)19(16,17)12-7-3-4-13(2)11-7/h3-5H,1-2H3,(H,11,12)(H,14,15)
InChIKeySSWLOZAPKRWJFS-UHFFFAOYSA-N
XLogP1.29
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 54920333) is 3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2ccn(C)n2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is SSWLOZAPKRWJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-6-5-8(18-9(6)10(14)15)19(16,17)12-7-3-4-13(2)11-7/h3-5H,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 54920333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).