5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride

C8H10ClFN2O3S — CID 115050065

IUPAC5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C2CCOCC2)c1F
InChIInChI=1S/C8H10ClFN2O3S/c9-16(13,14)7-5-11-12(8(7)10)6-1-3-15-4-2-6/h5-6H,1-4H2
InChIKeyBOFFWAXNDZGDKG-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.30
Rot. Bonds2

About 5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride

5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride (PubChem CID 115050065) has the molecular formula C8H10ClFN2O3S and a molecular weight of 268.70 g/mol. Its IUPAC name is 5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride
PubChem CID115050065
Molecular FormulaC8H10ClFN2O3S
Molecular Weight268.70 g/mol
Exact Mass268.01
IUPAC Name5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(C2CCOCC2)c1F
InChIInChI=1S/C8H10ClFN2O3S/c9-16(13,14)7-5-11-12(8(7)10)6-1-3-15-4-2-6/h5-6H,1-4H2
InChIKeyBOFFWAXNDZGDKG-UHFFFAOYSA-N
XLogP1.30
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-3-yl)-1H-pyrazole-4-sulfonyl chloride
CID 63564006
1-(oxan-4-yl)-1H-pyrazole-4-sulfonyl chloride
CID 63936713
5-fluoro-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 112756776
1-[3-(2,2,2-Trifluoroethoxy)propyl]pyrazole-4-sulfonyl chloride
CID 61491774
1-Cyclopentyl-5-fluoropyrazole-4-sulfonyl chloride
CID 115047011
1-Cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride
CID 115049598
N-(3-amino-2,2-difluoropropyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide;hydrochloride
CID 120404519
N-(3-amino-2,2-difluoropropyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide
CID 120404520
1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 154739990
1-(oxan-4-yl)-1H-pyrazole-4-sulfonyl fluoride
CID 154832115
1-(oxan-4-yl)-1H-pyrazole-5-sulfonyl fluoride
CID 165869529
5-Fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride
CID 171315896

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride (CID 115050065) is 5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(C2CCOCC2)c1F.
What is the InChIKey of 5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride?
The InChIKey is BOFFWAXNDZGDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O3S/c9-16(13,14)7-5-11-12(8(7)10)6-1-3-15-4-2-6/h5-6H,1-4H2.
What are the key properties of 5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride?
5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride has a molecular weight of 268.70 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(oxan-4-yl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 115050065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).