2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride

C9H11ClF2N2O2S — CID 84739123

IUPAC2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnn1C1CCCC(F)(F)C1
InChIInChI=1S/C9H11ClF2N2O2S/c10-17(15,16)8-3-5-13-14(8)7-2-1-4-9(11,12)6-7/h3,5,7H,1-2,4,6H2
InChIKeyCGFXIMMBDSNPNH-UHFFFAOYSA-N
MW284.71 g/mol
LogP2.56
Rot. Bonds2

About 2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride

2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride (PubChem CID 84739123) has the molecular formula C9H11ClF2N2O2S and a molecular weight of 284.71 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride
PubChem CID84739123
Molecular FormulaC9H11ClF2N2O2S
Molecular Weight284.71 g/mol
Exact Mass284.02
IUPAC Name2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnn1C1CCCC(F)(F)C1
InChIInChI=1S/C9H11ClF2N2O2S/c10-17(15,16)8-3-5-13-14(8)7-2-1-4-9(11,12)6-7/h3,5,7H,1-2,4,6H2
InChIKeyCGFXIMMBDSNPNH-UHFFFAOYSA-N
XLogP2.56
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride?
The IUPAC name of 2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride (CID 84739123) is 2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride is O=S(=O)(Cl)c1ccnn1C1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride?
The InChIKey is CGFXIMMBDSNPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N2O2S/c10-17(15,16)8-3-5-13-14(8)7-2-1-4-9(11,12)6-7/h3,5,7H,1-2,4,6H2.
What are the key properties of 2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride?
2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride has a molecular weight of 284.71 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)pyrazole-3-sulfonyl chloride is sourced from PubChem (CID 84739123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).