3,5-dibromo-4-ethoxybenzenesulfonyl chloride

C8H7Br2ClO3S — CID 43134474

IUPAC3,5-dibromo-4-ethoxybenzenesulfonyl chloride
SMILESCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C8H7Br2ClO3S/c1-2-14-8-6(9)3-5(4-7(8)10)15(11,12)13/h3-4H,2H2,1H3
InChIKeyJPICWQHGSWAKDS-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.54
Rot. Bonds3

About 3,5-dibromo-4-ethoxybenzenesulfonyl chloride

3,5-dibromo-4-ethoxybenzenesulfonyl chloride (PubChem CID 43134474) has the molecular formula C8H7Br2ClO3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 3,5-dibromo-4-ethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dibromo-4-ethoxybenzenesulfonyl chloride
PubChem CID43134474
Molecular FormulaC8H7Br2ClO3S
Molecular Weight378.47 g/mol
Exact Mass375.82
IUPAC Name3,5-dibromo-4-ethoxybenzenesulfonyl chloride
SMILESCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C8H7Br2ClO3S/c1-2-14-8-6(9)3-5(4-7(8)10)15(11,12)13/h3-4H,2H2,1H3
InChIKeyJPICWQHGSWAKDS-UHFFFAOYSA-N
XLogP3.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-4-(3-ethoxypropoxy)benzenesulfonyl chloride
CID 65176689
3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 61057682
3,5-dibromo-4-[2-(diethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82913649
3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride
CID 82909661
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-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82910807
3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride
CID 82910242
3,5-dibromo-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride
CID 62127238
5-bromo-2-ethoxy-3-methylbenzenesulfonyl chloride
CID 63216576
3-bromo-4-[di(propanoyl)amino]-5-iodobenzenesulfonyl chloride
CID 140970963
4-bromo-3-propoxybenzenesulfonyl chloride
CID 50876046

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-ethoxybenzenesulfonyl chloride?
The IUPAC name of 3,5-dibromo-4-ethoxybenzenesulfonyl chloride (CID 43134474) is 3,5-dibromo-4-ethoxybenzenesulfonyl chloride.
What is the SMILES notation for 3,5-dibromo-4-ethoxybenzenesulfonyl chloride?
The canonical SMILES for 3,5-dibromo-4-ethoxybenzenesulfonyl chloride is CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br.
What is the InChIKey of 3,5-dibromo-4-ethoxybenzenesulfonyl chloride?
The InChIKey is JPICWQHGSWAKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2ClO3S/c1-2-14-8-6(9)3-5(4-7(8)10)15(11,12)13/h3-4H,2H2,1H3.
What are the key properties of 3,5-dibromo-4-ethoxybenzenesulfonyl chloride?
3,5-dibromo-4-ethoxybenzenesulfonyl chloride has a molecular weight of 378.47 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-ethoxybenzenesulfonyl chloride is sourced from PubChem (CID 43134474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).