2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride

C9H12ClFN2O2S — CID 84738537

IUPAC2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnn1C1CCCC(F)C1
InChIInChI=1S/C9H12ClFN2O2S/c10-16(14,15)9-4-5-12-13(9)8-3-1-2-7(11)6-8/h4-5,7-8H,1-3,6H2
InChIKeyGVMLCHRVNNLDQK-UHFFFAOYSA-N
MW266.72 g/mol
LogP2.26
Rot. Bonds2

About 2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride

2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride (PubChem CID 84738537) has the molecular formula C9H12ClFN2O2S and a molecular weight of 266.72 g/mol. Its IUPAC name is 2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride
PubChem CID84738537
Molecular FormulaC9H12ClFN2O2S
Molecular Weight266.72 g/mol
Exact Mass266.03
IUPAC Name2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnn1C1CCCC(F)C1
InChIInChI=1S/C9H12ClFN2O2S/c10-16(14,15)9-4-5-12-13(9)8-3-1-2-7(11)6-8/h4-5,7-8H,1-3,6H2
InChIKeyGVMLCHRVNNLDQK-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride?
The IUPAC name of 2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride (CID 84738537) is 2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride.
What is the SMILES notation for 2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride?
The canonical SMILES for 2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride is O=S(=O)(Cl)c1ccnn1C1CCCC(F)C1.
What is the InChIKey of 2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride?
The InChIKey is GVMLCHRVNNLDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O2S/c10-16(14,15)9-4-5-12-13(9)8-3-1-2-7(11)6-8/h4-5,7-8H,1-3,6H2.
What are the key properties of 2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride?
2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride has a molecular weight of 266.72 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclohexyl)pyrazole-3-sulfonyl chloride is sourced from PubChem (CID 84738537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).