4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride

C15H15ClO4S — CID 43110134

IUPAC4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride
SMILESCOCCc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C15H15ClO4S/c1-19-11-10-12-2-4-13(5-3-12)20-14-6-8-15(9-7-14)21(16,17)18/h2-9H,10-11H2,1H3
InChIKeyBCTOWZLPMYXHGL-UHFFFAOYSA-N
MW326.80 g/mol
LogP3.60
Rot. Bonds6

About 4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride

4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride (PubChem CID 43110134) has the molecular formula C15H15ClO4S and a molecular weight of 326.80 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride
PubChem CID43110134
Molecular FormulaC15H15ClO4S
Molecular Weight326.80 g/mol
Exact Mass326.04
IUPAC Name4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride
SMILESCOCCc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C15H15ClO4S/c1-19-11-10-12-2-4-13(5-3-12)20-14-6-8-15(9-7-14)21(16,17)18/h2-9H,10-11H2,1H3
InChIKeyBCTOWZLPMYXHGL-UHFFFAOYSA-N
XLogP3.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride
CID 8484
2-(4-chlorosulfonylphenyl)ethyl acetate
CID 84710851
4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane
CID 143162061
[4-(2-methoxyethyl)phenyl] 4-(3-chloropropyl)benzenesulfonate
CID 52847438
3-methoxypropyl 3-(4-chlorosulfonylphenyl)propanoate
CID 65397522
1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
CID 145141271
4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride
CID 16740705
4-(3-methoxyphenoxy)benzenesulfonyl chloride
CID 18071781
4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride
CID 87221820
(1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol
CID 83124503
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde
CID 80631991
1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine
CID 115940032

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride?
The IUPAC name of 4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride (CID 43110134) is 4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride.
What is the SMILES notation for 4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride?
The canonical SMILES for 4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride is COCCc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1.
What is the InChIKey of 4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride?
The InChIKey is BCTOWZLPMYXHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO4S/c1-19-11-10-12-2-4-13(5-3-12)20-14-6-8-15(9-7-14)21(16,17)18/h2-9H,10-11H2,1H3.
What are the key properties of 4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride?
4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride has a molecular weight of 326.80 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride is sourced from PubChem (CID 43110134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).