(1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride

C5H9ClO4S — CID 178197914

IUPAC(1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@H]1CC[C@H](O)[C@@H]1O
InChIInChI=1S/C5H9ClO4S/c6-11(9,10)4-2-1-3(7)5(4)8/h3-5,7-8H,1-2H2/t3-,4-,5-/m0/s1
InChIKeyVYFASWBYZIVSFI-YUPRTTJUSA-N
MW200.64 g/mol
LogP-0.56
Rot. Bonds1

About (1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride

(1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride (PubChem CID 178197914) has the molecular formula C5H9ClO4S and a molecular weight of 200.64 g/mol. Its IUPAC name is (1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride.

Molecular Properties

Compound Name(1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride
PubChem CID178197914
Molecular FormulaC5H9ClO4S
Molecular Weight200.64 g/mol
Exact Mass199.99
IUPAC Name(1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@H]1CC[C@H](O)[C@@H]1O
InChIInChI=1S/C5H9ClO4S/c6-11(9,10)4-2-1-3(7)5(4)8/h3-5,7-8H,1-2H2/t3-,4-,5-/m0/s1
InChIKeyVYFASWBYZIVSFI-YUPRTTJUSA-N
XLogP-0.56
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride?
The IUPAC name of (1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride (CID 178197914) is (1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride.
What is the SMILES notation for (1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride?
The canonical SMILES for (1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride is O=S(=O)(Cl)[C@H]1CC[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride?
The InChIKey is VYFASWBYZIVSFI-YUPRTTJUSA-N. The full InChI is InChI=1S/C5H9ClO4S/c6-11(9,10)4-2-1-3(7)5(4)8/h3-5,7-8H,1-2H2/t3-,4-,5-/m0/s1.
What are the key properties of (1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride?
(1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride has a molecular weight of 200.64 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride is sourced from PubChem (CID 178197914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).