5-chloro-1H-pyrazole-4-sulfonyl chloride

C3H2Cl2N2O2S — CID 84721285

IUPAC5-chloro-1H-pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn[nH]c1Cl
InChIInChI=1S/C3H2Cl2N2O2S/c4-3-2(1-6-7-3)10(5,8)9/h1H,(H,6,7)
InChIKeyARQQLKOTZWOCAN-UHFFFAOYSA-N
MW201.03 g/mol
LogP0.99
Rot. Bonds1

About 5-chloro-1H-pyrazole-4-sulfonyl chloride

5-chloro-1H-pyrazole-4-sulfonyl chloride (PubChem CID 84721285) has the molecular formula C3H2Cl2N2O2S and a molecular weight of 201.03 g/mol. Its IUPAC name is 5-chloro-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-1H-pyrazole-4-sulfonyl chloride
PubChem CID84721285
Molecular FormulaC3H2Cl2N2O2S
Molecular Weight201.03 g/mol
Exact Mass199.92
IUPAC Name5-chloro-1H-pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn[nH]c1Cl
InChIInChI=1S/C3H2Cl2N2O2S/c4-3-2(1-6-7-3)10(5,8)9/h1H,(H,6,7)
InChIKeyARQQLKOTZWOCAN-UHFFFAOYSA-N
XLogP0.99
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.03
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-1H-pyrazole-4-sulfonyl chloride (CID 84721285) is 5-chloro-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-1H-pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cn[nH]c1Cl.
What is the InChIKey of 5-chloro-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is ARQQLKOTZWOCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl2N2O2S/c4-3-2(1-6-7-3)10(5,8)9/h1H,(H,6,7).
What are the key properties of 5-chloro-1H-pyrazole-4-sulfonyl chloride?
5-chloro-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 201.03 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 84721285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).