6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride

C14H20ClNO3S — CID 115928085

IUPAC6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride
SMILESCC1CC(Oc2ccc(S(=O)(=O)Cl)cn2)CC(C)(C)C1
InChIInChI=1S/C14H20ClNO3S/c1-10-6-11(8-14(2,3)7-10)19-13-5-4-12(9-16-13)20(15,17)18/h4-5,9-11H,6-8H2,1-3H3
InChIKeyFNOVMQOPUGUSBX-UHFFFAOYSA-N
MW317.84 g/mol
LogP3.60
Rot. Bonds3

About 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride

6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride (PubChem CID 115928085) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride
PubChem CID115928085
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride
SMILESCC1CC(Oc2ccc(S(=O)(=O)Cl)cn2)CC(C)(C)C1
InChIInChI=1S/C14H20ClNO3S/c1-10-6-11(8-14(2,3)7-10)19-13-5-4-12(9-16-13)20(15,17)18/h4-5,9-11H,6-8H2,1-3H3
InChIKeyFNOVMQOPUGUSBX-UHFFFAOYSA-N
XLogP3.60
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride?
The IUPAC name of 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride (CID 115928085) is 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride is CC1CC(Oc2ccc(S(=O)(=O)Cl)cn2)CC(C)(C)C1.
What is the InChIKey of 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride?
The InChIKey is FNOVMQOPUGUSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-10-6-11(8-14(2,3)7-10)19-13-5-4-12(9-16-13)20(15,17)18/h4-5,9-11H,6-8H2,1-3H3.
What are the key properties of 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride?
6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride has a molecular weight of 317.84 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 115928085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).