3-(2-methylsulfonylethoxy)benzenesulfonyl chloride

C9H11ClO5S2 — CID 62499411

IUPAC3-(2-methylsulfonylethoxy)benzenesulfonyl chloride
SMILESCS(=O)(=O)CCOc1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H11ClO5S2/c1-16(11,12)6-5-15-8-3-2-4-9(7-8)17(10,13)14/h2-4,7H,5-6H2,1H3
InChIKeyFQRCZVPUEPWOMD-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.04
Rot. Bonds5

About 3-(2-methylsulfonylethoxy)benzenesulfonyl chloride

3-(2-methylsulfonylethoxy)benzenesulfonyl chloride (PubChem CID 62499411) has the molecular formula C9H11ClO5S2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-(2-methylsulfonylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(2-methylsulfonylethoxy)benzenesulfonyl chloride
PubChem CID62499411
Molecular FormulaC9H11ClO5S2
Molecular Weight298.77 g/mol
Exact Mass297.97
IUPAC Name3-(2-methylsulfonylethoxy)benzenesulfonyl chloride
SMILESCS(=O)(=O)CCOc1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H11ClO5S2/c1-16(11,12)6-5-15-8-3-2-4-9(7-8)17(10,13)14/h2-4,7H,5-6H2,1H3
InChIKeyFQRCZVPUEPWOMD-UHFFFAOYSA-N
XLogP1.04
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-prop-2-enoxybenzenesulfonyl chloride
CID 61374246
1-[3-(2-methylsulfonylethoxy)phenyl]ethanone
CID 60917043
3-[2-(2-methylsulfonylethylsulfonyl)ethoxy]aniline
CID 63658125
2,2-difluoro-2-[3-(2-methylsulfonylethoxy)phenyl]acetic acid
CID 118646945
4-(3-methylsulfonylphenoxy)butan-1-ol
CID 43612928
1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
CID 52619425
(1S)-1-[3-(3-methylsulfonylpropoxy)phenyl]ethanol
CID 78933948
3-(4-methylphenoxy)benzenesulfonyl chloride
CID 3840556
6-(3-methylsulfonylphenoxy)hexan-1-ol
CID 107705404
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
3-(3-methylsulfonylphenoxy)propanamide
CID 55149798
4-[2-(3-ethylphenoxy)ethylsulfonyl]aniline
CID 39436109

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethoxy)benzenesulfonyl chloride?
The IUPAC name of 3-(2-methylsulfonylethoxy)benzenesulfonyl chloride (CID 62499411) is 3-(2-methylsulfonylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3-(2-methylsulfonylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 3-(2-methylsulfonylethoxy)benzenesulfonyl chloride is CS(=O)(=O)CCOc1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-(2-methylsulfonylethoxy)benzenesulfonyl chloride?
The InChIKey is FQRCZVPUEPWOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO5S2/c1-16(11,12)6-5-15-8-3-2-4-9(7-8)17(10,13)14/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-(2-methylsulfonylethoxy)benzenesulfonyl chloride?
3-(2-methylsulfonylethoxy)benzenesulfonyl chloride has a molecular weight of 298.77 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 62499411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).