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

C9H11ClF2N2O2S — CID 84739122

IUPAC2-(2,2-difluorocyclohexyl)pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnn1C1CCCCC1(F)F
InChIInChI=1S/C9H11ClF2N2O2S/c10-17(15,16)8-4-6-13-14(8)7-3-1-2-5-9(7,11)12/h4,6-7H,1-3,5H2
InChIKeyRKKRUTXDEJCVOZ-UHFFFAOYSA-N
MW284.71 g/mol
LogP2.56
Rot. Bonds2

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

2-(2,2-difluorocyclohexyl)pyrazole-3-sulfonyl chloride (PubChem CID 84739122) has the molecular formula C9H11ClF2N2O2S and a molecular weight of 284.71 g/mol. Its IUPAC name is 2-(2,2-difluorocyclohexyl)pyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(2,2-difluorocyclohexyl)pyrazole-3-sulfonyl chloride
PubChem CID84739122
Molecular FormulaC9H11ClF2N2O2S
Molecular Weight284.71 g/mol
Exact Mass284.02
IUPAC Name2-(2,2-difluorocyclohexyl)pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnn1C1CCCCC1(F)F
InChIInChI=1S/C9H11ClF2N2O2S/c10-17(15,16)8-4-6-13-14(8)7-3-1-2-5-9(7,11)12/h4,6-7H,1-3,5H2
InChIKeyRKKRUTXDEJCVOZ-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-(2,2-difluorocyclohexyl)pyrazole-3-sulfonyl chloride?
The IUPAC name of 2-(2,2-difluorocyclohexyl)pyrazole-3-sulfonyl chloride (CID 84739122) is 2-(2,2-difluorocyclohexyl)pyrazole-3-sulfonyl chloride.
What is the SMILES notation for 2-(2,2-difluorocyclohexyl)pyrazole-3-sulfonyl chloride?
The canonical SMILES for 2-(2,2-difluorocyclohexyl)pyrazole-3-sulfonyl chloride is O=S(=O)(Cl)c1ccnn1C1CCCCC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclohexyl)pyrazole-3-sulfonyl chloride?
The InChIKey is RKKRUTXDEJCVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N2O2S/c10-17(15,16)8-4-6-13-14(8)7-3-1-2-5-9(7,11)12/h4,6-7H,1-3,5H2.
What are the key properties of 2-(2,2-difluorocyclohexyl)pyrazole-3-sulfonyl chloride?
2-(2,2-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-(2,2-difluorocyclohexyl)pyrazole-3-sulfonyl chloride is sourced from PubChem (CID 84739122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).