4-iodo-1-(4-methylphenyl)sulfonylpyrazole

C10H9IN2O2S — CID 14041590

IUPAC4-iodo-1-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)n2cc(I)cn2)cc1
InChIInChI=1S/C10H9IN2O2S/c1-8-2-4-10(5-3-8)16(14,15)13-7-9(11)6-12-13/h2-7H,1H3
InChIKeyZUPAEJKALBCZFM-UHFFFAOYSA-N
MW348.17 g/mol
LogP2.03
Rot. Bonds2

About 4-iodo-1-(4-methylphenyl)sulfonylpyrazole

4-iodo-1-(4-methylphenyl)sulfonylpyrazole (PubChem CID 14041590) has the molecular formula C10H9IN2O2S and a molecular weight of 348.17 g/mol. Its IUPAC name is 4-iodo-1-(4-methylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name4-iodo-1-(4-methylphenyl)sulfonylpyrazole
PubChem CID14041590
Molecular FormulaC10H9IN2O2S
Molecular Weight348.17 g/mol
Exact Mass347.94
IUPAC Name4-iodo-1-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)n2cc(I)cn2)cc1
InChIInChI=1S/C10H9IN2O2S/c1-8-2-4-10(5-3-8)16(14,15)13-7-9(11)6-12-13/h2-7H,1H3
InChIKeyZUPAEJKALBCZFM-UHFFFAOYSA-N
XLogP2.03
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-(4-methylphenyl)sulfonylpyrazole?
The IUPAC name of 4-iodo-1-(4-methylphenyl)sulfonylpyrazole (CID 14041590) is 4-iodo-1-(4-methylphenyl)sulfonylpyrazole.
What is the SMILES notation for 4-iodo-1-(4-methylphenyl)sulfonylpyrazole?
The canonical SMILES for 4-iodo-1-(4-methylphenyl)sulfonylpyrazole is Cc1ccc(S(=O)(=O)n2cc(I)cn2)cc1.
What is the InChIKey of 4-iodo-1-(4-methylphenyl)sulfonylpyrazole?
The InChIKey is ZUPAEJKALBCZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O2S/c1-8-2-4-10(5-3-8)16(14,15)13-7-9(11)6-12-13/h2-7H,1H3.
What are the key properties of 4-iodo-1-(4-methylphenyl)sulfonylpyrazole?
4-iodo-1-(4-methylphenyl)sulfonylpyrazole has a molecular weight of 348.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-(4-methylphenyl)sulfonylpyrazole is sourced from PubChem (CID 14041590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).