5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride

C8H8BrClO3S — CID 155598143

IUPAC5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride
SMILESCCc1cc(Br)cc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C8H8BrClO3S/c1-2-5-3-6(9)4-7(8(5)11)14(10,12)13/h3-4,11H,2H2,1H3
InChIKeyUMGOFVOEAFUJJX-UHFFFAOYSA-N
MW299.57 g/mol
LogP2.64
Rot. Bonds2

About 5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride

5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride (PubChem CID 155598143) has the molecular formula C8H8BrClO3S and a molecular weight of 299.57 g/mol. Its IUPAC name is 5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride
PubChem CID155598143
Molecular FormulaC8H8BrClO3S
Molecular Weight299.57 g/mol
Exact Mass297.91
IUPAC Name5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride
SMILESCCc1cc(Br)cc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C8H8BrClO3S/c1-2-5-3-6(9)4-7(8(5)11)14(10,12)13/h3-4,11H,2H2,1H3
InChIKeyUMGOFVOEAFUJJX-UHFFFAOYSA-N
XLogP2.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.57
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride
CID 131631570
(5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride
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5-bromo-2-ethoxy-3-methylbenzenesulfonyl chloride
CID 63216576
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CID 65368879
4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol
CID 117404007
N-[(5-bromo-2-hydroxy-3-methylsulfonylphenyl)methyl]-2-chloroacetamide
CID 13210266
propyl 2-(5-bromo-2-chlorosulfonylphenyl)acetate
CID 174888145
propyl 5-bromo-3-chlorosulfonyl-2-methylbenzoate
CID 65396915
2-cyano-4-ethyl-3-hydroxybenzenesulfonyl chloride
CID 131619507
2,5-dibromo-3-chlorosulfonylbenzoic acid
CID 114356378
4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride
CID 131631575

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride?
The IUPAC name of 5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride (CID 155598143) is 5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride is CCc1cc(Br)cc(S(=O)(=O)Cl)c1O.
What is the InChIKey of 5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride?
The InChIKey is UMGOFVOEAFUJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO3S/c1-2-5-3-6(9)4-7(8(5)11)14(10,12)13/h3-4,11H,2H2,1H3.
What are the key properties of 5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride?
5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride has a molecular weight of 299.57 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 155598143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).