6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride

C6H5ClF2N2O3S — CID 163198525

IUPAC6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn2c1OCC(F)(F)C2
InChIInChI=1S/C6H5ClF2N2O3S/c7-15(12,13)4-1-10-11-2-6(8,9)3-14-5(4)11/h1H,2-3H2
InChIKeyOMQUNKQZDJUIJX-UHFFFAOYSA-N
MW258.63 g/mol
LogP0.84
Rot. Bonds1

About 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride

6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride (PubChem CID 163198525) has the molecular formula C6H5ClF2N2O3S and a molecular weight of 258.63 g/mol. Its IUPAC name is 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride.

Molecular Properties

Compound Name6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
PubChem CID163198525
Molecular FormulaC6H5ClF2N2O3S
Molecular Weight258.63 g/mol
Exact Mass257.97
IUPAC Name6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn2c1OCC(F)(F)C2
InChIInChI=1S/C6H5ClF2N2O3S/c7-15(12,13)4-1-10-11-2-6(8,9)3-14-5(4)11/h1H,2-3H2
InChIKeyOMQUNKQZDJUIJX-UHFFFAOYSA-N
XLogP0.84
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.63
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-sulfonyl chloride
CID 84687958
5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-sulfonamide
CID 119031861
6,6-dimethyl-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-sulfonyl chloride
CID 131598270
3-(Difluoromethoxy)-1-ethylpyrazole-4-sulfonyl chloride
CID 118164775
1-(Difluoromethyl)-3-ethoxy-pyrazole-4-sulfonyl chloride
CID 118164794
1-(Difluoromethyl)-3-ethoxypyrazole-4-sulfonic acid
CID 118165054
3-Ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride
CID 123761594
6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 135241139
3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 141083368
6-[[(2,2,2-trifluoroacetyl)amino]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
CID 146225614
3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 163602676
(6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
CID 165369872

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
The IUPAC name of 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride (CID 163198525) is 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride.
What is the SMILES notation for 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
The canonical SMILES for 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride is O=S(=O)(Cl)c1cnn2c1OCC(F)(F)C2.
What is the InChIKey of 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
The InChIKey is OMQUNKQZDJUIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O3S/c7-15(12,13)4-1-10-11-2-6(8,9)3-14-5(4)11/h1H,2-3H2.
What are the key properties of 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride has a molecular weight of 258.63 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride is sourced from PubChem (CID 163198525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).