3-phenylpyrazolidine-4-sulfonyl chloride

C9H11ClN2O2S — CID 76899642

IUPAC3-phenylpyrazolidine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CNNC1c1ccccc1
InChIInChI=1S/C9H11ClN2O2S/c10-15(13,14)8-6-11-12-9(8)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6H2
InChIKeyHTWCREBJNCZFRY-UHFFFAOYSA-N
MW246.72 g/mol
LogP0.77
Rot. Bonds2

About 3-phenylpyrazolidine-4-sulfonyl chloride

3-phenylpyrazolidine-4-sulfonyl chloride (PubChem CID 76899642) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 3-phenylpyrazolidine-4-sulfonyl chloride.

Molecular Properties

Compound Name3-phenylpyrazolidine-4-sulfonyl chloride
PubChem CID76899642
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name3-phenylpyrazolidine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CNNC1c1ccccc1
InChIInChI=1S/C9H11ClN2O2S/c10-15(13,14)8-6-11-12-9(8)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6H2
InChIKeyHTWCREBJNCZFRY-UHFFFAOYSA-N
XLogP0.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenylpyrazolidine-4-sulfonyl chloride?
The IUPAC name of 3-phenylpyrazolidine-4-sulfonyl chloride (CID 76899642) is 3-phenylpyrazolidine-4-sulfonyl chloride.
What is the SMILES notation for 3-phenylpyrazolidine-4-sulfonyl chloride?
The canonical SMILES for 3-phenylpyrazolidine-4-sulfonyl chloride is O=S(=O)(Cl)C1CNNC1c1ccccc1.
What is the InChIKey of 3-phenylpyrazolidine-4-sulfonyl chloride?
The InChIKey is HTWCREBJNCZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-15(13,14)8-6-11-12-9(8)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6H2.
What are the key properties of 3-phenylpyrazolidine-4-sulfonyl chloride?
3-phenylpyrazolidine-4-sulfonyl chloride has a molecular weight of 246.72 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpyrazolidine-4-sulfonyl chloride is sourced from PubChem (CID 76899642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).