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

C9H7ClN2O2S — CID 61394866

IUPAC5-phenyl-1H-pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C9H7ClN2O2S/c10-15(13,14)8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H,(H,11,12)
InChIKeyZGFHSLCRQKVQMO-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.00
Rot. Bonds2

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

5-phenyl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 61394866) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 5-phenyl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-phenyl-1H-pyrazole-4-sulfonyl chloride
PubChem CID61394866
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name5-phenyl-1H-pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C9H7ClN2O2S/c10-15(13,14)8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H,(H,11,12)
InChIKeyZGFHSLCRQKVQMO-UHFFFAOYSA-N
XLogP2.00
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-phenyl-1H-pyrazole-4-sulfonyl chloride (CID 61394866) is 5-phenyl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-phenyl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-phenyl-1H-pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 5-phenyl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is ZGFHSLCRQKVQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-15(13,14)8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H,(H,11,12).
What are the key properties of 5-phenyl-1H-pyrazole-4-sulfonyl chloride?
5-phenyl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 242.69 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 61394866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).