3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride

C15H23ClO3S — CID 65015506

IUPAC3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride
SMILESCC(C)CC(C)OCC(CS(=O)(=O)Cl)c1ccccc1
InChIInChI=1S/C15H23ClO3S/c1-12(2)9-13(3)19-10-15(11-20(16,17)18)14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3
InChIKeySUNHVRGAVNJWIV-UHFFFAOYSA-N
MW318.87 g/mol
LogP3.79
Rot. Bonds8

About 3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride

3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride (PubChem CID 65015506) has the molecular formula C15H23ClO3S and a molecular weight of 318.87 g/mol. Its IUPAC name is 3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride
PubChem CID65015506
Molecular FormulaC15H23ClO3S
Molecular Weight318.87 g/mol
Exact Mass318.11
IUPAC Name3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride
SMILESCC(C)CC(C)OCC(CS(=O)(=O)Cl)c1ccccc1
InChIInChI=1S/C15H23ClO3S/c1-12(2)9-13(3)19-10-15(11-20(16,17)18)14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3
InChIKeySUNHVRGAVNJWIV-UHFFFAOYSA-N
XLogP3.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-hexoxy-2-phenylpropane-1-sulfonyl chloride
CID 65015462
(2S)-2-phenylpropane-1-sulfonyl chloride
CID 98112212
3-(1-methylpyrazol-4-yl)oxy-2-phenylpropane-1-sulfonyl chloride
CID 116793890
2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide
CID 65015331
2-hydroxy-2-phenylethanesulfonyl chloride
CID 115032395
(6-methyl-4-phenylheptan-2-yl)benzene
CID 174190180
2-ethyl-2-(1-phenylethoxymethyl)butane-1-sulfonyl chloride
CID 65003433
cumene;sulfurochloridic acid
CID 23037521
3-heptoxy-2-phenylpropane-1-sulfonamide
CID 65015525
N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide
CID 107158308
3-chloro-2-methyl-N-(3-methyl-1-phenylbutyl)propane-1-sulfonamide
CID 79586380
2-methoxy-3-phenylpropane-1-sulfonyl chloride
CID 115046417

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride?
The IUPAC name of 3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride (CID 65015506) is 3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride is CC(C)CC(C)OCC(CS(=O)(=O)Cl)c1ccccc1.
What is the InChIKey of 3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride?
The InChIKey is SUNHVRGAVNJWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO3S/c1-12(2)9-13(3)19-10-15(11-20(16,17)18)14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3.
What are the key properties of 3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride?
3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride has a molecular weight of 318.87 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride is sourced from PubChem (CID 65015506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).