3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride

C7H6BrClO3S — CID 123478222

IUPAC3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)c(O)c1Br
InChIInChI=1S/C7H6BrClO3S/c1-4-2-3-5(13(9,11)12)7(10)6(4)8/h2-3,10H,1H3
InChIKeyFHWXORIADNKHTR-UHFFFAOYSA-N
MW285.55 g/mol
LogP2.39
Rot. Bonds1

About 3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride

3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride (PubChem CID 123478222) has the molecular formula C7H6BrClO3S and a molecular weight of 285.55 g/mol. Its IUPAC name is 3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride
PubChem CID123478222
Molecular FormulaC7H6BrClO3S
Molecular Weight285.55 g/mol
Exact Mass283.89
IUPAC Name3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)c(O)c1Br
InChIInChI=1S/C7H6BrClO3S/c1-4-2-3-5(13(9,11)12)7(10)6(4)8/h2-3,10H,1H3
InChIKeyFHWXORIADNKHTR-UHFFFAOYSA-N
XLogP2.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.55
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-iodo-4-methylbenzenesulfonyl chloride
CID 154427198
(3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride
CID 117482561
4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride
CID 84796537
4-bromo-3-chloro-2-methylbenzenesulfonyl chloride
CID 50998046
4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride
CID 82912727
2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol
CID 84704863
4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride
CID 23452824
3-bromo-2-methyl-4-nitrobenzenesulfonyl chloride
CID 131469700
6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride
CID 122199049
3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride
CID 84800602
2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride
CID 130929622
3-bromo-2,4-dichlorobenzenesulfonyl chloride
CID 56604731

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride?
The IUPAC name of 3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride (CID 123478222) is 3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride is Cc1ccc(S(=O)(=O)Cl)c(O)c1Br.
What is the InChIKey of 3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride?
The InChIKey is FHWXORIADNKHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO3S/c1-4-2-3-5(13(9,11)12)7(10)6(4)8/h2-3,10H,1H3.
What are the key properties of 3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride?
3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride has a molecular weight of 285.55 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 123478222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).