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

C7H13ClO3S — CID 124513068

IUPACcis-(1S,2R)-2-methoxycyclohexane-1-sulfonyl chloride
SMILESCO[C@@H]1CCCC[C@@H]1S(=O)(=O)Cl
InChIInChI=1S/C7H13ClO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeySZSTYCAMYADOFB-RQJHMYQMSA-N
MW212.70 g/mol
LogP1.51
Rot. Bonds2

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

cis-(1S,2R)-2-methoxycyclohexane-1-sulfonyl chloride (PubChem CID 124513068) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is cis-(1S,2R)-2-methoxycyclohexane-1-sulfonyl chloride.

Molecular Properties

Compound Namecis-(1S,2R)-2-methoxycyclohexane-1-sulfonyl chloride
PubChem CID124513068
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Namecis-(1S,2R)-2-methoxycyclohexane-1-sulfonyl chloride
SMILESCO[C@@H]1CCCC[C@@H]1S(=O)(=O)Cl
InChIInChI=1S/C7H13ClO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeySZSTYCAMYADOFB-RQJHMYQMSA-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
2-Hydroxycyclohexane-1-sulfonyl chloride
CID 50990651
4-Methoxycyclohexane-1-sulfonyl chloride
CID 59996026
4-Methoxycyclohexane-1-sulfonamide
CID 104459237
3-Methoxycyclohexane-1-sulfonyl chloride
CID 84734734
(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

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methoxycyclohexane-1-sulfonyl chloride?
The IUPAC name of cis-(1S,2R)-2-methoxycyclohexane-1-sulfonyl chloride (CID 124513068) is cis-(1S,2R)-2-methoxycyclohexane-1-sulfonyl chloride.
What is the SMILES notation for cis-(1S,2R)-2-methoxycyclohexane-1-sulfonyl chloride?
The canonical SMILES for cis-(1S,2R)-2-methoxycyclohexane-1-sulfonyl chloride is CO[C@@H]1CCCC[C@@H]1S(=O)(=O)Cl.
What is the InChIKey of cis-(1S,2R)-2-methoxycyclohexane-1-sulfonyl chloride?
The InChIKey is SZSTYCAMYADOFB-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13ClO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h6-7H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methoxycyclohexane-1-sulfonyl chloride?
cis-(1S,2R)-2-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 cis-(1S,2R)-2-methoxycyclohexane-1-sulfonyl chloride is sourced from PubChem (CID 124513068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).