1-(4-ethoxyphenyl)ethanesulfonyl chloride

C10H13ClO3S — CID 114996226

IUPAC1-(4-ethoxyphenyl)ethanesulfonyl chloride
SMILESCCOc1ccc(C(C)S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO3S/c1-3-14-10-6-4-9(5-7-10)8(2)15(11,12)13/h4-8H,3H2,1-2H3
InChIKeyWRFREYMBJXEKGI-UHFFFAOYSA-N
MW248.73 g/mol
LogP2.71
Rot. Bonds4

About 1-(4-ethoxyphenyl)ethanesulfonyl chloride

1-(4-ethoxyphenyl)ethanesulfonyl chloride (PubChem CID 114996226) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)ethanesulfonyl chloride
PubChem CID114996226
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Name1-(4-ethoxyphenyl)ethanesulfonyl chloride
SMILESCCOc1ccc(C(C)S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO3S/c1-3-14-10-6-4-9(5-7-10)8(2)15(11,12)13/h4-8H,3H2,1-2H3
InChIKeyWRFREYMBJXEKGI-UHFFFAOYSA-N
XLogP2.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)ethanesulfonyl chloride
CID 114999623
1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride
CID 116866341
[(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride
CID 89251854
1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103710433
2-(4-ethoxyphenyl)propanedial
CID 3698706
1-ethoxy-4-(4-methylpentan-2-yl)benzene
CID 57011514
1-(1-chloro-4-methylpentan-2-yl)-4-ethoxybenzene
CID 112508540
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide
CID 74768382
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
1-(1-bromo-2-methylbutyl)-4-ethoxybenzene
CID 63436936
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)ethanesulfonyl chloride?
The IUPAC name of 1-(4-ethoxyphenyl)ethanesulfonyl chloride (CID 114996226) is 1-(4-ethoxyphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 1-(4-ethoxyphenyl)ethanesulfonyl chloride?
The canonical SMILES for 1-(4-ethoxyphenyl)ethanesulfonyl chloride is CCOc1ccc(C(C)S(=O)(=O)Cl)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)ethanesulfonyl chloride?
The InChIKey is WRFREYMBJXEKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3S/c1-3-14-10-6-4-9(5-7-10)8(2)15(11,12)13/h4-8H,3H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)ethanesulfonyl chloride?
1-(4-ethoxyphenyl)ethanesulfonyl chloride has a molecular weight of 248.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 114996226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).