1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene

C18H20Cl2O4S — CID 58983789

IUPAC1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene
SMILESCCOCc1cc(S(=O)(=O)c2ccc(Cl)c(COCC)c2)ccc1Cl
InChIInChI=1S/C18H20Cl2O4S/c1-3-23-11-13-9-15(5-7-17(13)19)25(21,22)16-6-8-18(20)14(10-16)12-24-4-2/h5-10H,3-4,11-12H2,1-2H3
InChIKeyFGDUWDKJMBHQAU-UHFFFAOYSA-N
MW403.33 g/mol
LogP4.90
Rot. Bonds8

About 1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene

1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene (PubChem CID 58983789) has the molecular formula C18H20Cl2O4S and a molecular weight of 403.33 g/mol. Its IUPAC name is 1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene
PubChem CID58983789
Molecular FormulaC18H20Cl2O4S
Molecular Weight403.33 g/mol
Exact Mass402.05
IUPAC Name1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene
SMILESCCOCc1cc(S(=O)(=O)c2ccc(Cl)c(COCC)c2)ccc1Cl
InChIInChI=1S/C18H20Cl2O4S/c1-3-23-11-13-9-15(5-7-17(13)19)25(21,22)16-6-8-18(20)14(10-16)12-24-4-2/h5-10H,3-4,11-12H2,1-2H3
InChIKeyFGDUWDKJMBHQAU-UHFFFAOYSA-N
XLogP4.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene?
The IUPAC name of 1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene (CID 58983789) is 1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene.
What is the SMILES notation for 1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene?
The canonical SMILES for 1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene is CCOCc1cc(S(=O)(=O)c2ccc(Cl)c(COCC)c2)ccc1Cl.
What is the InChIKey of 1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene?
The InChIKey is FGDUWDKJMBHQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2O4S/c1-3-23-11-13-9-15(5-7-17(13)19)25(21,22)16-6-8-18(20)14(10-16)12-24-4-2/h5-10H,3-4,11-12H2,1-2H3.
What are the key properties of 1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene?
1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene has a molecular weight of 403.33 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-chloro-3-(ethoxymethyl)phenyl]sulfonyl-2-(ethoxymethyl)benzene is sourced from PubChem (CID 58983789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).