3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride

C10H11Cl3O5S2 — CID 61057811

IUPAC3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
SMILESCCS(=O)(=O)CCOc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C10H11Cl3O5S2/c1-2-19(14,15)4-3-18-10-8(11)5-7(6-9(10)12)20(13,16)17/h5-6H,2-4H2,1H3
InChIKeyZUZYWHAUOSACQI-UHFFFAOYSA-N
MW381.69 g/mol
LogP2.73
Rot. Bonds6

About 3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride

3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride (PubChem CID 61057811) has the molecular formula C10H11Cl3O5S2 and a molecular weight of 381.69 g/mol. Its IUPAC name is 3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
PubChem CID61057811
Molecular FormulaC10H11Cl3O5S2
Molecular Weight381.69 g/mol
Exact Mass379.91
IUPAC Name3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
SMILESCCS(=O)(=O)CCOc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C10H11Cl3O5S2/c1-2-19(14,15)4-3-18-10-8(11)5-7(6-9(10)12)20(13,16)17/h5-6H,2-4H2,1H3
InChIKeyZUZYWHAUOSACQI-UHFFFAOYSA-N
XLogP2.73
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.69
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 61057682
3,5-dichloro-4-hexoxybenzenesulfonyl chloride
CID 60802122
3,5-dichloro-4-(3-methylbutoxy)benzenesulfonyl chloride
CID 60800384
3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 60800740
3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxybenzaldehyde
CID 43807823
4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 61057681
3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide
CID 60801262
5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 62104796
4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride
CID 104796586
1-[3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxyphenyl]propan-2-amine
CID 60906618
5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726837
3,5-dichloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride
CID 63245920

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride?
The IUPAC name of 3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride (CID 61057811) is 3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride is CCS(=O)(=O)CCOc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride?
The InChIKey is ZUZYWHAUOSACQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3O5S2/c1-2-19(14,15)4-3-18-10-8(11)5-7(6-9(10)12)20(13,16)17/h5-6H,2-4H2,1H3.
What are the key properties of 3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride?
3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride has a molecular weight of 381.69 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 61057811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).