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

C10H11Br2ClO5S2 — CID 61057682

IUPAC3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
SMILESCCS(=O)(=O)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C10H11Br2ClO5S2/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
InChIKeyOMLNESBRCRHKRP-UHFFFAOYSA-N
MW470.59 g/mol
LogP2.95
Rot. Bonds6

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

3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride (PubChem CID 61057682) has the molecular formula C10H11Br2ClO5S2 and a molecular weight of 470.59 g/mol. Its IUPAC name is 3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
PubChem CID61057682
Molecular FormulaC10H11Br2ClO5S2
Molecular Weight470.59 g/mol
Exact Mass467.81
IUPAC Name3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
SMILESCCS(=O)(=O)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C10H11Br2ClO5S2/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
InChIKeyOMLNESBRCRHKRP-UHFFFAOYSA-N
XLogP2.95
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 61057811
3,5-dibromo-4-ethoxybenzenesulfonyl chloride
CID 43134474
3,5-dibromo-4-(3-ethoxypropoxy)benzenesulfonyl chloride
CID 65176689
3,5-dibromo-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonyl chloride
CID 115942390
3,5-dibromo-4-(3-methoxy-3-methylbutoxy)benzenesulfonyl chloride
CID 103020676
3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride
CID 82910242
1,3-dibromo-5-(chloromethyl)-2-(2-propylsulfonylethoxy)benzene
CID 107745574
3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride
CID 82909661
3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82910807
3,5-dibromo-4-[2-(diethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82913649
3,5-dibromo-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride
CID 62127238
4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 61057681

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride?
The IUPAC name of 3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride (CID 61057682) is 3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride is CCS(=O)(=O)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br.
What is the InChIKey of 3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride?
The InChIKey is OMLNESBRCRHKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2ClO5S2/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-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride?
3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride has a molecular weight of 470.59 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 61057682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).