5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride

C7H4ClIN2O2S2 — CID 87432155

IUPAC5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-n2cc(I)cn2)s1
InChIInChI=1S/C7H4ClIN2O2S2/c8-15(12,13)7-2-1-6(14-7)11-4-5(9)3-10-11/h1-4H
InChIKeyJZUXZJHCAQMEAK-UHFFFAOYSA-N
MW374.61 g/mol
LogP2.47
Rot. Bonds2

About 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride

5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride (PubChem CID 87432155) has the molecular formula C7H4ClIN2O2S2 and a molecular weight of 374.61 g/mol. Its IUPAC name is 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride
PubChem CID87432155
Molecular FormulaC7H4ClIN2O2S2
Molecular Weight374.61 g/mol
Exact Mass373.84
IUPAC Name5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-n2cc(I)cn2)s1
InChIInChI=1S/C7H4ClIN2O2S2/c8-15(12,13)7-2-1-6(14-7)11-4-5(9)3-10-11/h1-4H
InChIKeyJZUXZJHCAQMEAK-UHFFFAOYSA-N
XLogP2.47
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride?
The IUPAC name of 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride (CID 87432155) is 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1ccc(-n2cc(I)cn2)s1.
What is the InChIKey of 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride?
The InChIKey is JZUXZJHCAQMEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2O2S2/c8-15(12,13)7-2-1-6(14-7)11-4-5(9)3-10-11/h1-4H.
What are the key properties of 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride?
5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride has a molecular weight of 374.61 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodopyrazol-1-yl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 87432155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).