1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride

C9H12ClFN2O2S — CID 115049598

IUPAC1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C2CCCCC2)c1F
InChIInChI=1S/C9H12ClFN2O2S/c10-16(14,15)8-6-12-13(9(8)11)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyOFGZZEPSZUAGIS-UHFFFAOYSA-N
MW266.72 g/mol
LogP2.45
Rot. Bonds2

About 1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride

1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride (PubChem CID 115049598) has the molecular formula C9H12ClFN2O2S and a molecular weight of 266.72 g/mol. Its IUPAC name is 1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride
PubChem CID115049598
Molecular FormulaC9H12ClFN2O2S
Molecular Weight266.72 g/mol
Exact Mass266.03
IUPAC Name1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C2CCCCC2)c1F
InChIInChI=1S/C9H12ClFN2O2S/c10-16(14,15)8-6-12-13(9(8)11)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyOFGZZEPSZUAGIS-UHFFFAOYSA-N
XLogP2.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride?
The IUPAC name of 1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride (CID 115049598) is 1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(C2CCCCC2)c1F.
What is the InChIKey of 1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride?
The InChIKey is OFGZZEPSZUAGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O2S/c10-16(14,15)8-6-12-13(9(8)11)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride?
1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride has a molecular weight of 266.72 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride is sourced from PubChem (CID 115049598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).