2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride

C7H9ClN2O3S — CID 84736622

IUPAC2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnn1C1CCOC1
InChIInChI=1S/C7H9ClN2O3S/c8-14(11,12)7-1-3-9-10(7)6-2-4-13-5-6/h1,3,6H,2,4-5H2
InChIKeyRQRTVRFIGNMYFS-UHFFFAOYSA-N
MW236.68 g/mol
LogP0.77
Rot. Bonds2

About 2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride

2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride (PubChem CID 84736622) has the molecular formula C7H9ClN2O3S and a molecular weight of 236.68 g/mol. Its IUPAC name is 2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride
PubChem CID84736622
Molecular FormulaC7H9ClN2O3S
Molecular Weight236.68 g/mol
Exact Mass236.00
IUPAC Name2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnn1C1CCOC1
InChIInChI=1S/C7H9ClN2O3S/c8-14(11,12)7-1-3-9-10(7)6-2-4-13-5-6/h1,3,6H,2,4-5H2
InChIKeyRQRTVRFIGNMYFS-UHFFFAOYSA-N
XLogP0.77
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride?
The IUPAC name of 2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride (CID 84736622) is 2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride.
What is the SMILES notation for 2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride?
The canonical SMILES for 2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride is O=S(=O)(Cl)c1ccnn1C1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride?
The InChIKey is RQRTVRFIGNMYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3S/c8-14(11,12)7-1-3-9-10(7)6-2-4-13-5-6/h1,3,6H,2,4-5H2.
What are the key properties of 2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride?
2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride has a molecular weight of 236.68 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)pyrazole-3-sulfonyl chloride is sourced from PubChem (CID 84736622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).