2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride

C12H16ClNO3S — CID 112572932

IUPAC2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride
SMILESCC1CCC(Oc2ncccc2S(=O)(=O)Cl)CC1
InChIInChI=1S/C12H16ClNO3S/c1-9-4-6-10(7-5-9)17-12-11(18(13,15)16)3-2-8-14-12/h2-3,8-10H,4-7H2,1H3
InChIKeyVVDGFGXKMSQWGR-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.97
Rot. Bonds3

About 2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride

2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride (PubChem CID 112572932) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride
PubChem CID112572932
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride
SMILESCC1CCC(Oc2ncccc2S(=O)(=O)Cl)CC1
InChIInChI=1S/C12H16ClNO3S/c1-9-4-6-10(7-5-9)17-12-11(18(13,15)16)3-2-8-14-12/h2-3,8-10H,4-7H2,1H3
InChIKeyVVDGFGXKMSQWGR-UHFFFAOYSA-N
XLogP2.97
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride?
The IUPAC name of 2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride (CID 112572932) is 2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride?
The canonical SMILES for 2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride is CC1CCC(Oc2ncccc2S(=O)(=O)Cl)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride?
The InChIKey is VVDGFGXKMSQWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-9-4-6-10(7-5-9)17-12-11(18(13,15)16)3-2-8-14-12/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride?
2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride has a molecular weight of 289.78 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 112572932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).