5-(4-butylphenoxy)-2-methylsulfonylpyridine

C16H19NO3S — CID 163959552

IUPAC5-(4-butylphenoxy)-2-methylsulfonylpyridine
SMILESCCCCc1ccc(Oc2ccc(S(C)(=O)=O)nc2)cc1
InChIInChI=1S/C16H19NO3S/c1-3-4-5-13-6-8-14(9-7-13)20-15-10-11-16(17-12-15)21(2,18)19/h6-12H,3-5H2,1-2H3
InChIKeySGHKUQJCRNUKOX-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.62
Rot. Bonds6

About 5-(4-butylphenoxy)-2-methylsulfonylpyridine

5-(4-butylphenoxy)-2-methylsulfonylpyridine (PubChem CID 163959552) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-(4-butylphenoxy)-2-methylsulfonylpyridine.

Molecular Properties

Compound Name5-(4-butylphenoxy)-2-methylsulfonylpyridine
PubChem CID163959552
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name5-(4-butylphenoxy)-2-methylsulfonylpyridine
SMILESCCCCc1ccc(Oc2ccc(S(C)(=O)=O)nc2)cc1
InChIInChI=1S/C16H19NO3S/c1-3-4-5-13-6-8-14(9-7-13)20-15-10-11-16(17-12-15)21(2,18)19/h6-12H,3-5H2,1-2H3
InChIKeySGHKUQJCRNUKOX-UHFFFAOYSA-N
XLogP3.62
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
(4-butylphenyl) sulfate
CID 59815367
4-(4-butylphenoxy)benzaldehyde
CID 10824839
2-(4-butylphenoxy)-5-iodopyrimidine
CID 116649242
4-butyl-2-methylsulfonylpyridine
CID 148809868
(4-butylphenyl) 4-methylsulfonylbutane-1-sulfonate
CID 166272015
4-(4-butylphenoxy)-1H-pyridazin-6-one
CID 103241860
3-(4-butoxyphenyl)propyl methanesulfonate
CID 19688447
5-(4-butylphenoxy)pyrazin-2-amine
CID 113322810
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
3-[(5-butyl-2-pyridinyl)sulfonyl]propan-1-ol
CID 89464997
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenoxy)-2-methylsulfonylpyridine?
The IUPAC name of 5-(4-butylphenoxy)-2-methylsulfonylpyridine (CID 163959552) is 5-(4-butylphenoxy)-2-methylsulfonylpyridine.
What is the SMILES notation for 5-(4-butylphenoxy)-2-methylsulfonylpyridine?
The canonical SMILES for 5-(4-butylphenoxy)-2-methylsulfonylpyridine is CCCCc1ccc(Oc2ccc(S(C)(=O)=O)nc2)cc1.
What is the InChIKey of 5-(4-butylphenoxy)-2-methylsulfonylpyridine?
The InChIKey is SGHKUQJCRNUKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-4-5-13-6-8-14(9-7-13)20-15-10-11-16(17-12-15)21(2,18)19/h6-12H,3-5H2,1-2H3.
What are the key properties of 5-(4-butylphenoxy)-2-methylsulfonylpyridine?
5-(4-butylphenoxy)-2-methylsulfonylpyridine has a molecular weight of 305.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenoxy)-2-methylsulfonylpyridine is sourced from PubChem (CID 163959552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).