6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride

C6H7ClN2O3S — CID 84687958

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn2c1OCCC2
InChIInChI=1S/C6H7ClN2O3S/c7-13(10,11)5-4-8-9-2-1-3-12-6(5)9/h4H,1-3H2
InChIKeyCJIQNDKNUMZXBZ-UHFFFAOYSA-N
MW222.65 g/mol
LogP0.59
Rot. Bonds1

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride (PubChem CID 84687958) has the molecular formula C6H7ClN2O3S and a molecular weight of 222.65 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
PubChem CID84687958
Molecular FormulaC6H7ClN2O3S
Molecular Weight222.65 g/mol
Exact Mass221.99
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn2c1OCCC2
InChIInChI=1S/C6H7ClN2O3S/c7-13(10,11)5-4-8-9-2-1-3-12-6(5)9/h4H,1-3H2
InChIKeyCJIQNDKNUMZXBZ-UHFFFAOYSA-N
XLogP0.59
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride (CID 84687958) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride is O=S(=O)(Cl)c1cnn2c1OCCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
The InChIKey is CJIQNDKNUMZXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O3S/c7-13(10,11)5-4-8-9-2-1-3-12-6(5)9/h4H,1-3H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride has a molecular weight of 222.65 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride is sourced from PubChem (CID 84687958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).