2-(4-chlorosulfonylphenyl)ethyl acetate

C10H11ClO4S — CID 84710851

IUPAC2-(4-chlorosulfonylphenyl)ethyl acetate
SMILESCC(=O)OCCc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H11ClO4S/c1-8(12)15-7-6-9-2-4-10(5-3-9)16(11,13)14/h2-5H,6-7H2,1H3
InChIKeySFRZHYHURVIOLI-UHFFFAOYSA-N
MW262.71 g/mol
LogP1.72
Rot. Bonds4

About 2-(4-chlorosulfonylphenyl)ethyl acetate

2-(4-chlorosulfonylphenyl)ethyl acetate (PubChem CID 84710851) has the molecular formula C10H11ClO4S and a molecular weight of 262.71 g/mol. Its IUPAC name is 2-(4-chlorosulfonylphenyl)ethyl acetate.

Molecular Properties

Compound Name2-(4-chlorosulfonylphenyl)ethyl acetate
PubChem CID84710851
Molecular FormulaC10H11ClO4S
Molecular Weight262.71 g/mol
Exact Mass262.01
IUPAC Name2-(4-chlorosulfonylphenyl)ethyl acetate
SMILESCC(=O)OCCc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H11ClO4S/c1-8(12)15-7-6-9-2-4-10(5-3-9)16(11,13)14/h2-5H,6-7H2,1H3
InChIKeySFRZHYHURVIOLI-UHFFFAOYSA-N
XLogP1.72
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylethyl acetate
CID 7654
2-(4-butylphenyl)ethyl acetate
CID 91655434
2-azulen-6-ylethyl acetate
CID 593065
4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride
CID 87221820
acetic acid;2-phenylethyl acetate
CID 174791962
4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride
CID 43110134
3-methoxypropyl 3-(4-chlorosulfonylphenyl)propanoate
CID 65397522
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
ethyl 4-(2-acetyloxyethyl)benzoate
CID 70067514
sodium 2,5-bis(2-acetyloxyethyl)benzenesulfonate
CID 140755927
2-(3-chloro-4-hydroxyphenyl)ethyl acetate
CID 139884995
bis[4-(2-acetyloxyethyl)phenyl]iodanium hexafluorophosphate
CID 162218719

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorosulfonylphenyl)ethyl acetate?
The IUPAC name of 2-(4-chlorosulfonylphenyl)ethyl acetate (CID 84710851) is 2-(4-chlorosulfonylphenyl)ethyl acetate.
What is the SMILES notation for 2-(4-chlorosulfonylphenyl)ethyl acetate?
The canonical SMILES for 2-(4-chlorosulfonylphenyl)ethyl acetate is CC(=O)OCCc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 2-(4-chlorosulfonylphenyl)ethyl acetate?
The InChIKey is SFRZHYHURVIOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4S/c1-8(12)15-7-6-9-2-4-10(5-3-9)16(11,13)14/h2-5H,6-7H2,1H3.
What are the key properties of 2-(4-chlorosulfonylphenyl)ethyl acetate?
2-(4-chlorosulfonylphenyl)ethyl acetate has a molecular weight of 262.71 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorosulfonylphenyl)ethyl acetate is sourced from PubChem (CID 84710851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).