5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid

C7H5IN2O3S2 — CID 174515637

IUPAC5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(-n2cc(I)cn2)s1
InChIInChI=1S/C7H5IN2O3S2/c8-5-3-9-10(4-5)6-1-2-7(14-6)15(11,12)13/h1-4H,(H,11,12,13)
InChIKeyOFZNWLKQFCYUGR-UHFFFAOYSA-N
MW356.17 g/mol
LogP1.79
Rot. Bonds2

About 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid

5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid (PubChem CID 174515637) has the molecular formula C7H5IN2O3S2 and a molecular weight of 356.17 g/mol. Its IUPAC name is 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid.

Molecular Properties

Compound Name5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid
PubChem CID174515637
Molecular FormulaC7H5IN2O3S2
Molecular Weight356.17 g/mol
Exact Mass355.88
IUPAC Name5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(-n2cc(I)cn2)s1
InChIInChI=1S/C7H5IN2O3S2/c8-5-3-9-10(4-5)6-1-2-7(14-6)15(11,12)13/h1-4H,(H,11,12,13)
InChIKeyOFZNWLKQFCYUGR-UHFFFAOYSA-N
XLogP1.79
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid?
The IUPAC name of 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid (CID 174515637) is 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid.
What is the SMILES notation for 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid?
The canonical SMILES for 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid is O=S(=O)(O)c1ccc(-n2cc(I)cn2)s1.
What is the InChIKey of 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid?
The InChIKey is OFZNWLKQFCYUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2O3S2/c8-5-3-9-10(4-5)6-1-2-7(14-6)15(11,12)13/h1-4H,(H,11,12,13).
What are the key properties of 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid?
5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid has a molecular weight of 356.17 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonic acid is sourced from PubChem (CID 174515637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).