(2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride

C8H10ClFN2O3S — CID 134543066

IUPAC(2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride
SMILESCOC[C@H](Cc1ncc(F)cn1)S(=O)(=O)Cl
InChIInChI=1S/C8H10ClFN2O3S/c1-15-5-7(16(9,13)14)2-8-11-3-6(10)4-12-8/h3-4,7H,2,5H2,1H3/t7-/m0/s1
InChIKeyYZJGLCRVODNPPD-ZETCQYMHSA-N
MW268.70 g/mol
LogP0.74
Rot. Bonds5

About (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride

(2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride (PubChem CID 134543066) has the molecular formula C8H10ClFN2O3S and a molecular weight of 268.70 g/mol. Its IUPAC name is (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride.

Molecular Properties

Compound Name(2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride
PubChem CID134543066
Molecular FormulaC8H10ClFN2O3S
Molecular Weight268.70 g/mol
Exact Mass268.01
IUPAC Name(2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride
SMILESCOC[C@H](Cc1ncc(F)cn1)S(=O)(=O)Cl
InChIInChI=1S/C8H10ClFN2O3S/c1-15-5-7(16(9,13)14)2-8-11-3-6(10)4-12-8/h3-4,7H,2,5H2,1H3/t7-/m0/s1
InChIKeyYZJGLCRVODNPPD-ZETCQYMHSA-N
XLogP0.74
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride?
The IUPAC name of (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride (CID 134543066) is (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride.
What is the SMILES notation for (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride?
The canonical SMILES for (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride is COC[C@H](Cc1ncc(F)cn1)S(=O)(=O)Cl.
What is the InChIKey of (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride?
The InChIKey is YZJGLCRVODNPPD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10ClFN2O3S/c1-15-5-7(16(9,13)14)2-8-11-3-6(10)4-12-8/h3-4,7H,2,5H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride?
(2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride has a molecular weight of 268.70 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride is sourced from PubChem (CID 134543066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).