1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride

C6H8ClFN2O3S — CID 155193539

IUPAC1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn([C@@H](CO)CF)c1
InChIInChI=1S/C6H8ClFN2O3S/c7-14(12,13)6-2-9-10(3-6)5(1-8)4-11/h2-3,5,11H,1,4H2/t5-/m1/s1
InChIKeyOJEDKTNWGHBNHC-RXMQYKEDSA-N
MW242.66 g/mol
LogP0.31
Rot. Bonds4

About 1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride

1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride (PubChem CID 155193539) has the molecular formula C6H8ClFN2O3S and a molecular weight of 242.66 g/mol. Its IUPAC name is 1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride
PubChem CID155193539
Molecular FormulaC6H8ClFN2O3S
Molecular Weight242.66 g/mol
Exact Mass241.99
IUPAC Name1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn([C@@H](CO)CF)c1
InChIInChI=1S/C6H8ClFN2O3S/c7-14(12,13)6-2-9-10(3-6)5(1-8)4-11/h2-3,5,11H,1,4H2/t5-/m1/s1
InChIKeyOJEDKTNWGHBNHC-RXMQYKEDSA-N
XLogP0.31
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride (CID 155193539) is 1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn([C@@H](CO)CF)c1.
What is the InChIKey of 1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride?
The InChIKey is OJEDKTNWGHBNHC-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8ClFN2O3S/c7-14(12,13)6-2-9-10(3-6)5(1-8)4-11/h2-3,5,11H,1,4H2/t5-/m1/s1.
What are the key properties of 1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride?
1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride has a molecular weight of 242.66 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 155193539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).