1-cyclohexylpyrazole-3-sulfonyl chloride

C9H13ClN2O2S — CID 122480750

IUPAC1-cyclohexylpyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccn(C2CCCCC2)n1
InChIInChI=1S/C9H13ClN2O2S/c10-15(13,14)9-6-7-12(11-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyNBGBBGLPIIFABG-UHFFFAOYSA-N
MW248.73 g/mol
LogP2.32
Rot. Bonds2

About 1-cyclohexylpyrazole-3-sulfonyl chloride

1-cyclohexylpyrazole-3-sulfonyl chloride (PubChem CID 122480750) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 1-cyclohexylpyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-cyclohexylpyrazole-3-sulfonyl chloride
PubChem CID122480750
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name1-cyclohexylpyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccn(C2CCCCC2)n1
InChIInChI=1S/C9H13ClN2O2S/c10-15(13,14)9-6-7-12(11-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyNBGBBGLPIIFABG-UHFFFAOYSA-N
XLogP2.32
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrazole-3-sulfonyl chloride?
The IUPAC name of 1-cyclohexylpyrazole-3-sulfonyl chloride (CID 122480750) is 1-cyclohexylpyrazole-3-sulfonyl chloride.
What is the SMILES notation for 1-cyclohexylpyrazole-3-sulfonyl chloride?
The canonical SMILES for 1-cyclohexylpyrazole-3-sulfonyl chloride is O=S(=O)(Cl)c1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexylpyrazole-3-sulfonyl chloride?
The InChIKey is NBGBBGLPIIFABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c10-15(13,14)9-6-7-12(11-9)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 1-cyclohexylpyrazole-3-sulfonyl chloride?
1-cyclohexylpyrazole-3-sulfonyl chloride has a molecular weight of 248.73 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrazole-3-sulfonyl chloride is sourced from PubChem (CID 122480750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).