1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol

C14H20O4S — CID 13215962

IUPAC1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol
SMILESCOC(C1(O)CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20O4S/c1-18-13(14(15)10-6-3-7-11-14)19(16,17)12-8-4-2-5-9-12/h2,4-5,8-9,13,15H,3,6-7,10-11H2,1H3
InChIKeySNMQOCZOXKLDJV-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.13
Rot. Bonds4

About 1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol

1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol (PubChem CID 13215962) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol
PubChem CID13215962
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Name1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol
SMILESCOC(C1(O)CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20O4S/c1-18-13(14(15)10-6-3-7-11-14)19(16,17)12-8-4-2-5-9-12/h2,4-5,8-9,13,15H,3,6-7,10-11H2,1H3
InChIKeySNMQOCZOXKLDJV-UHFFFAOYSA-N
XLogP2.13
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol (CID 13215962) is 1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol is COC(C1(O)CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol?
The InChIKey is SNMQOCZOXKLDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4S/c1-18-13(14(15)10-6-3-7-11-14)19(16,17)12-8-4-2-5-9-12/h2,4-5,8-9,13,15H,3,6-7,10-11H2,1H3.
What are the key properties of 1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol?
1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol has a molecular weight of 284.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzenesulfonyl(methoxy)methyl]cyclohexan-1-ol is sourced from PubChem (CID 13215962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).