(5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride

C7H6BrClO4S — CID 117485801

IUPAC(5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(Br)cc(O)c1O
InChIInChI=1S/C7H6BrClO4S/c8-5-1-4(3-14(9,12)13)7(11)6(10)2-5/h1-2,10-11H,3H2
InChIKeyWNEDMVJCKPXBBA-UHFFFAOYSA-N
MW301.55 g/mol
LogP1.93
Rot. Bonds2

About (5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride

(5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride (PubChem CID 117485801) has the molecular formula C7H6BrClO4S and a molecular weight of 301.55 g/mol. Its IUPAC name is (5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride
PubChem CID117485801
Molecular FormulaC7H6BrClO4S
Molecular Weight301.55 g/mol
Exact Mass299.89
IUPAC Name(5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(Br)cc(O)c1O
InChIInChI=1S/C7H6BrClO4S/c8-5-1-4(3-14(9,12)13)7(11)6(10)2-5/h1-2,10-11H,3H2
InChIKeyWNEDMVJCKPXBBA-UHFFFAOYSA-N
XLogP1.93
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.55
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride
CID 155598143
(2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride
CID 117341424
(3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride
CID 117482561
(3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride
CID 84801727
(3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride
CID 117117336
(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117416233
(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 117425080
(5-bromo-2-propoxyphenyl)methanesulfonyl chloride
CID 165446942
(3-bromo-2,5-difluorophenyl)methanesulfonyl chloride
CID 117490895
(5-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 53401491
(3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride
CID 117458220
(2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride
CID 84810750

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride?
The IUPAC name of (5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride (CID 117485801) is (5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1cc(Br)cc(O)c1O.
What is the InChIKey of (5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride?
The InChIKey is WNEDMVJCKPXBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO4S/c8-5-1-4(3-14(9,12)13)7(11)6(10)2-5/h1-2,10-11H,3H2.
What are the key properties of (5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride?
(5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride has a molecular weight of 301.55 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117485801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).