4-methoxycyclohexane-1-sulfonyl chloride

C7H13ClO3S — CID 59996026

IUPAC4-methoxycyclohexane-1-sulfonyl chloride
SMILESCOC1CCC(S(=O)(=O)Cl)CC1
InChIInChI=1S/C7H13ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h6-7H,2-5H2,1H3
InChIKeyQHQFCIVYXHOXSN-UHFFFAOYSA-N
MW212.70 g/mol
LogP1.51
Rot. Bonds2

About 4-methoxycyclohexane-1-sulfonyl chloride

4-methoxycyclohexane-1-sulfonyl chloride (PubChem CID 59996026) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is 4-methoxycyclohexane-1-sulfonyl chloride.

Molecular Properties

Compound Name4-methoxycyclohexane-1-sulfonyl chloride
PubChem CID59996026
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Name4-methoxycyclohexane-1-sulfonyl chloride
SMILESCOC1CCC(S(=O)(=O)Cl)CC1
InChIInChI=1S/C7H13ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h6-7H,2-5H2,1H3
InChIKeyQHQFCIVYXHOXSN-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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Related Compounds

(Oxan-2-yl)methanesulfonyl chloride
CID 21224521
4-Methoxycyclohexane-1-sulfonamide
CID 104459237
3-Methoxycyclohexane-1-sulfonyl chloride
CID 84734734
rac-(1R,2S)-2-methoxycyclohexane-1-sulfonyl chloride
CID 124513068
(6-Methyloxan-2-yl)methanesulfonyl chloride
CID 131420775
rac-[(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride
CID 155973813
Cyclohexylethanesulfonate
CID 57118699
(3-Fluorocyclohexyl) ethanesulfonate
CID 87624829
(2-Fluorocyclohexyl) ethanesulfonate
CID 87624831
(4-Fluorocyclohexyl) ethanesulfonate
CID 87625147
Cyclohexyl 1-fluoroethanesulfonate
CID 174891793
trans-(1S,2S)-2-methoxycyclohexane-1-sulfonyl chloride
CID 124513069

Frequently Asked Questions

What is the IUPAC name of 4-methoxycyclohexane-1-sulfonyl chloride?
The IUPAC name of 4-methoxycyclohexane-1-sulfonyl chloride (CID 59996026) is 4-methoxycyclohexane-1-sulfonyl chloride.
What is the SMILES notation for 4-methoxycyclohexane-1-sulfonyl chloride?
The canonical SMILES for 4-methoxycyclohexane-1-sulfonyl chloride is COC1CCC(S(=O)(=O)Cl)CC1.
What is the InChIKey of 4-methoxycyclohexane-1-sulfonyl chloride?
The InChIKey is QHQFCIVYXHOXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h6-7H,2-5H2,1H3.
What are the key properties of 4-methoxycyclohexane-1-sulfonyl chloride?
4-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 4-methoxycyclohexane-1-sulfonyl chloride is sourced from PubChem (CID 59996026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).