3-methoxycyclohexane-1-sulfonyl chloride

C7H13ClO3S — CID 84734734

IUPAC3-methoxycyclohexane-1-sulfonyl chloride
SMILESCOC1CCCC(S(=O)(=O)Cl)C1
InChIInChI=1S/C7H13ClO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h6-7H,2-5H2,1H3
InChIKeyHWAUOHSZLJFCHX-UHFFFAOYSA-N
MW212.70 g/mol
LogP1.51
Rot. Bonds2

About 3-methoxycyclohexane-1-sulfonyl chloride

3-methoxycyclohexane-1-sulfonyl chloride (PubChem CID 84734734) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is 3-methoxycyclohexane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-methoxycyclohexane-1-sulfonyl chloride
PubChem CID84734734
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Name3-methoxycyclohexane-1-sulfonyl chloride
SMILESCOC1CCCC(S(=O)(=O)Cl)C1
InChIInChI=1S/C7H13ClO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h6-7H,2-5H2,1H3
InChIKeyHWAUOHSZLJFCHX-UHFFFAOYSA-N
XLogP1.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxycyclohexane-1-sulfonyl chloride?
The IUPAC name of 3-methoxycyclohexane-1-sulfonyl chloride (CID 84734734) is 3-methoxycyclohexane-1-sulfonyl chloride.
What is the SMILES notation for 3-methoxycyclohexane-1-sulfonyl chloride?
The canonical SMILES for 3-methoxycyclohexane-1-sulfonyl chloride is COC1CCCC(S(=O)(=O)Cl)C1.
What is the InChIKey of 3-methoxycyclohexane-1-sulfonyl chloride?
The InChIKey is HWAUOHSZLJFCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h6-7H,2-5H2,1H3.
What are the key properties of 3-methoxycyclohexane-1-sulfonyl chloride?
3-methoxycyclohexane-1-sulfonyl chloride has a molecular weight of 212.70 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycyclohexane-1-sulfonyl chloride is sourced from PubChem (CID 84734734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).