1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride

C7H9ClN2O3S — CID 63564006

IUPAC1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C2CCOC2)c1
InChIInChI=1S/C7H9ClN2O3S/c8-14(11,12)7-3-9-10(4-7)6-1-2-13-5-6/h3-4,6H,1-2,5H2
InChIKeyOVUMLXDIGACVNZ-UHFFFAOYSA-N
MW236.68 g/mol
LogP0.77
Rot. Bonds2

About 1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride

1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride (PubChem CID 63564006) has the molecular formula C7H9ClN2O3S and a molecular weight of 236.68 g/mol. Its IUPAC name is 1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride
PubChem CID63564006
Molecular FormulaC7H9ClN2O3S
Molecular Weight236.68 g/mol
Exact Mass236.00
IUPAC Name1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C2CCOC2)c1
InChIInChI=1S/C7H9ClN2O3S/c8-14(11,12)7-3-9-10(4-7)6-1-2-13-5-6/h3-4,6H,1-2,5H2
InChIKeyOVUMLXDIGACVNZ-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 1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride (CID 63564006) is 1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(C2CCOC2)c1.
What is the InChIKey of 1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride?
The InChIKey is OVUMLXDIGACVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3S/c8-14(11,12)7-3-9-10(4-7)6-1-2-13-5-6/h3-4,6H,1-2,5H2.
What are the key properties of 1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride?
1-(oxolan-3-yl)pyrazole-4-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 1-(oxolan-3-yl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 63564006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).