2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride

C15H23ClO3S — CID 65003476

IUPAC2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride
SMILESCCc1ccc(OCC(CC)(CC)CS(=O)(=O)Cl)cc1
InChIInChI=1S/C15H23ClO3S/c1-4-13-7-9-14(10-8-13)19-11-15(5-2,6-3)12-20(16,17)18/h7-10H,4-6,11-12H2,1-3H3
InChIKeyFXJXDXANAAHSIB-UHFFFAOYSA-N
MW318.87 g/mol
LogP4.00
Rot. Bonds8

About 2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride

2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride (PubChem CID 65003476) has the molecular formula C15H23ClO3S and a molecular weight of 318.87 g/mol. Its IUPAC name is 2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride
PubChem CID65003476
Molecular FormulaC15H23ClO3S
Molecular Weight318.87 g/mol
Exact Mass318.11
IUPAC Name2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride
SMILESCCc1ccc(OCC(CC)(CC)CS(=O)(=O)Cl)cc1
InChIInChI=1S/C15H23ClO3S/c1-4-13-7-9-14(10-8-13)19-11-15(5-2,6-3)12-20(16,17)18/h7-10H,4-6,11-12H2,1-3H3
InChIKeyFXJXDXANAAHSIB-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride
CID 65004081
2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide
CID 65003642
2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide
CID 65004097
2-[(2,5-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonyl chloride
CID 64998973
2-[(5-bromo-2-chlorophenoxy)methyl]-2-ethylbutane-1-sulfonyl chloride
CID 65004134
2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonyl chloride
CID 65004130
2-ethyl-2-(1-phenylethoxymethyl)butane-1-sulfonyl chloride
CID 65003433
1-[4-[2-(bromomethyl)-2-ethylbutoxy]phenyl]propan-2-one
CID 113322922
2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride
CID 65012648
(4-propoxyphenyl)methanesulfonyl chloride
CID 114996230
3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626545
1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene
CID 64998942

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride?
The IUPAC name of 2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride (CID 65003476) is 2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride?
The canonical SMILES for 2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride is CCc1ccc(OCC(CC)(CC)CS(=O)(=O)Cl)cc1.
What is the InChIKey of 2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride?
The InChIKey is FXJXDXANAAHSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO3S/c1-4-13-7-9-14(10-8-13)19-11-15(5-2,6-3)12-20(16,17)18/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride?
2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride has a molecular weight of 318.87 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride is sourced from PubChem (CID 65003476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).