cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride

C6H11ClO3S — CID 98123735

IUPACcis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C6H11ClO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h5-6,8H,1-4H2/t5-,6+/m1/s1
InChIKeyHPXWZMBYQSLXBP-RITPCOANSA-N
MW198.67 g/mol
LogP0.86
Rot. Bonds1

About cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride

cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride (PubChem CID 98123735) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride.

Molecular Properties

Compound Namecis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride
PubChem CID98123735
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Namecis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C6H11ClO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h5-6,8H,1-4H2/t5-,6+/m1/s1
InChIKeyHPXWZMBYQSLXBP-RITPCOANSA-N
XLogP0.86
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride?
The IUPAC name of cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride (CID 98123735) is cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride.
What is the SMILES notation for cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride?
The canonical SMILES for cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride is O=S(=O)(Cl)[C@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride?
The InChIKey is HPXWZMBYQSLXBP-RITPCOANSA-N. The full InChI is InChI=1S/C6H11ClO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h5-6,8H,1-4H2/t5-,6+/m1/s1.
What are the key properties of cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride?
cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride has a molecular weight of 198.67 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride is sourced from PubChem (CID 98123735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).