5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride

C10H12Cl2O5S2 — CID 62104796

IUPAC5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
SMILESCCS(=O)(=O)CCOc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12Cl2O5S2/c1-2-18(13,14)6-5-17-9-4-3-8(11)7-10(9)19(12,15)16/h3-4,7H,2,5-6H2,1H3
InChIKeyOTJUCPKMLVAKRS-UHFFFAOYSA-N
MW347.24 g/mol
LogP2.08
Rot. Bonds6

About 5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride

5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride (PubChem CID 62104796) has the molecular formula C10H12Cl2O5S2 and a molecular weight of 347.24 g/mol. Its IUPAC name is 5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
PubChem CID62104796
Molecular FormulaC10H12Cl2O5S2
Molecular Weight347.24 g/mol
Exact Mass345.95
IUPAC Name5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
SMILESCCS(=O)(=O)CCOc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12Cl2O5S2/c1-2-18(13,14)6-5-17-9-4-3-8(11)7-10(9)19(12,15)16/h3-4,7H,2,5-6H2,1H3
InChIKeyOTJUCPKMLVAKRS-UHFFFAOYSA-N
XLogP2.08
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride (CID 62104796) is 5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride is CCS(=O)(=O)CCOc1ccc(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride?
The InChIKey is OTJUCPKMLVAKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O5S2/c1-2-18(13,14)6-5-17-9-4-3-8(11)7-10(9)19(12,15)16/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride?
5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride has a molecular weight of 347.24 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 62104796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).