2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride

C9H13ClN2O2S — CID 50896624

IUPAC2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)n(C2CCCC2)n1
InChIInChI=1S/C9H13ClN2O2S/c1-7-6-9(15(10,13)14)12(11-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyJJPKWCSOOOBIPT-UHFFFAOYSA-N
MW248.73 g/mol
LogP2.23
Rot. Bonds2

About 2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride

2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride (PubChem CID 50896624) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride
PubChem CID50896624
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)n(C2CCCC2)n1
InChIInChI=1S/C9H13ClN2O2S/c1-7-6-9(15(10,13)14)12(11-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyJJPKWCSOOOBIPT-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride?
The IUPAC name of 2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride (CID 50896624) is 2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride.
What is the SMILES notation for 2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride?
The canonical SMILES for 2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride is Cc1cc(S(=O)(=O)Cl)n(C2CCCC2)n1.
What is the InChIKey of 2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride?
The InChIKey is JJPKWCSOOOBIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-7-6-9(15(10,13)14)12(11-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3.
What are the key properties of 2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride?
2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride has a molecular weight of 248.73 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride is sourced from PubChem (CID 50896624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).