2-hydroxycyclohexane-1-sulfonyl chloride

C6H11ClO3S — CID 50990651

IUPAC2-hydroxycyclohexane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCCCC1O
InChIInChI=1S/C6H11ClO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h5-6,8H,1-4H2
InChIKeyHPXWZMBYQSLXBP-UHFFFAOYSA-N
MW198.67 g/mol
LogP0.86
Rot. Bonds1

About 2-hydroxycyclohexane-1-sulfonyl chloride

2-hydroxycyclohexane-1-sulfonyl chloride (PubChem CID 50990651) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is 2-hydroxycyclohexane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-hydroxycyclohexane-1-sulfonyl chloride
PubChem CID50990651
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Name2-hydroxycyclohexane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCCCC1O
InChIInChI=1S/C6H11ClO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h5-6,8H,1-4H2
InChIKeyHPXWZMBYQSLXBP-UHFFFAOYSA-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 2-hydroxycyclohexane-1-sulfonyl chloride?
The IUPAC name of 2-hydroxycyclohexane-1-sulfonyl chloride (CID 50990651) is 2-hydroxycyclohexane-1-sulfonyl chloride.
What is the SMILES notation for 2-hydroxycyclohexane-1-sulfonyl chloride?
The canonical SMILES for 2-hydroxycyclohexane-1-sulfonyl chloride is O=S(=O)(Cl)C1CCCCC1O.
What is the InChIKey of 2-hydroxycyclohexane-1-sulfonyl chloride?
The InChIKey is HPXWZMBYQSLXBP-UHFFFAOYSA-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.
What are the key properties of 2-hydroxycyclohexane-1-sulfonyl chloride?
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 2-hydroxycyclohexane-1-sulfonyl chloride is sourced from PubChem (CID 50990651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).