2-(4-methoxyphenoxy)ethanesulfonyl chloride

C9H11ClO4S — CID 54594527

IUPAC2-(4-methoxyphenoxy)ethanesulfonyl chloride
SMILESCOc1ccc(OCCS(=O)(=O)Cl)cc1
InChIInChI=1S/C9H11ClO4S/c1-13-8-2-4-9(5-3-8)14-6-7-15(10,11)12/h2-5H,6-7H2,1H3
InChIKeyHESVPAQVZZIIBY-UHFFFAOYSA-N
MW250.70 g/mol
LogP1.64
Rot. Bonds5

About 2-(4-methoxyphenoxy)ethanesulfonyl chloride

2-(4-methoxyphenoxy)ethanesulfonyl chloride (PubChem CID 54594527) has the molecular formula C9H11ClO4S and a molecular weight of 250.70 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethanesulfonyl chloride
PubChem CID54594527
Molecular FormulaC9H11ClO4S
Molecular Weight250.70 g/mol
Exact Mass250.01
IUPAC Name2-(4-methoxyphenoxy)ethanesulfonyl chloride
SMILESCOc1ccc(OCCS(=O)(=O)Cl)cc1
InChIInChI=1S/C9H11ClO4S/c1-13-8-2-4-9(5-3-8)14-6-7-15(10,11)12/h2-5H,6-7H2,1H3
InChIKeyHESVPAQVZZIIBY-UHFFFAOYSA-N
XLogP1.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395
3-[4-(4-methoxyphenyl)phenoxy]propane-1-sulfonate
CID 101477557
sodium;hydride;4-(4-methoxyphenoxy)butane-1-sulfonic acid
CID 173443474
3-phenoxypropane-1-sulfonyl chloride
CID 62937989
2-[3-(4-methoxyphenoxy)propylsulfonyl]acetonitrile
CID 82180996
4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine
CID 82181339
sodium;hydride;2-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]ethanesulfonic acid
CID 173434374
2-[2-(4-methoxyphenoxy)ethylsulfonyl]butanoic acid
CID 105354487
2-[3-(4-methoxyphenoxy)propylsulfonyl]acetic acid
CID 82180471
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethanesulfonyl chloride?
The IUPAC name of 2-(4-methoxyphenoxy)ethanesulfonyl chloride (CID 54594527) is 2-(4-methoxyphenoxy)ethanesulfonyl chloride.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethanesulfonyl chloride?
The canonical SMILES for 2-(4-methoxyphenoxy)ethanesulfonyl chloride is COc1ccc(OCCS(=O)(=O)Cl)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethanesulfonyl chloride?
The InChIKey is HESVPAQVZZIIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO4S/c1-13-8-2-4-9(5-3-8)14-6-7-15(10,11)12/h2-5H,6-7H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)ethanesulfonyl chloride?
2-(4-methoxyphenoxy)ethanesulfonyl chloride has a molecular weight of 250.70 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethanesulfonyl chloride is sourced from PubChem (CID 54594527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).