3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid

C9H9N3O4S2 — CID 43443076

IUPAC3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)Nc2ccsc2C(=O)O)cn1
InChIInChI=1S/C9H9N3O4S2/c1-12-5-6(4-10-12)18(15,16)11-7-2-3-17-8(7)9(13)14/h2-5,11H,1H3,(H,13,14)
InChIKeyNEAOQXCGDFGNGI-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.98
Rot. Bonds4

About 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid

3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 43443076) has the molecular formula C9H9N3O4S2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID43443076
Molecular FormulaC9H9N3O4S2
Molecular Weight287.32 g/mol
Exact Mass287.00
IUPAC Name3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)Nc2ccsc2C(=O)O)cn1
InChIInChI=1S/C9H9N3O4S2/c1-12-5-6(4-10-12)18(15,16)11-7-2-3-17-8(7)9(13)14/h2-5,11H,1H3,(H,13,14)
InChIKeyNEAOQXCGDFGNGI-UHFFFAOYSA-N
XLogP0.98
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid (CID 43443076) is 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid is Cn1cc(S(=O)(=O)Nc2ccsc2C(=O)O)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is NEAOQXCGDFGNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S2/c1-12-5-6(4-10-12)18(15,16)11-7-2-3-17-8(7)9(13)14/h2-5,11H,1H3,(H,13,14).
What are the key properties of 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid?
3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43443076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).