1-phenylpyrazole-4-sulfonyl chloride

C9H7ClN2O2S — CID 43140085

IUPAC1-phenylpyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C9H7ClN2O2S/c10-15(13,14)9-6-11-12(7-9)8-4-2-1-3-5-8/h1-7H
InChIKeyPCXMOXHSEXNGMP-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.80
Rot. Bonds2

About 1-phenylpyrazole-4-sulfonyl chloride

1-phenylpyrazole-4-sulfonyl chloride (PubChem CID 43140085) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 1-phenylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-phenylpyrazole-4-sulfonyl chloride
PubChem CID43140085
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name1-phenylpyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C9H7ClN2O2S/c10-15(13,14)9-6-11-12(7-9)8-4-2-1-3-5-8/h1-7H
InChIKeyPCXMOXHSEXNGMP-UHFFFAOYSA-N
XLogP1.80
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-phenylpyrazole-4-sulfonyl chloride (CID 43140085) is 1-phenylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-phenylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-phenylpyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenylpyrazole-4-sulfonyl chloride?
The InChIKey is PCXMOXHSEXNGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-15(13,14)9-6-11-12(7-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 1-phenylpyrazole-4-sulfonyl chloride?
1-phenylpyrazole-4-sulfonyl chloride has a molecular weight of 242.69 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 43140085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).