(3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride

C8H8BrClO3S — CID 117482561

IUPAC(3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride
SMILESCc1ccc(CS(=O)(=O)Cl)c(O)c1Br
InChIInChI=1S/C8H8BrClO3S/c1-5-2-3-6(4-14(10,12)13)8(11)7(5)9/h2-3,11H,4H2,1H3
InChIKeyKRJMBKJTTDTTQY-UHFFFAOYSA-N
MW299.57 g/mol
LogP2.53
Rot. Bonds2

About (3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride

(3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride (PubChem CID 117482561) has the molecular formula C8H8BrClO3S and a molecular weight of 299.57 g/mol. Its IUPAC name is (3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride
PubChem CID117482561
Molecular FormulaC8H8BrClO3S
Molecular Weight299.57 g/mol
Exact Mass297.91
IUPAC Name(3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride
SMILESCc1ccc(CS(=O)(=O)Cl)c(O)c1Br
InChIInChI=1S/C8H8BrClO3S/c1-5-2-3-6(4-14(10,12)13)8(11)7(5)9/h2-3,11H,4H2,1H3
InChIKeyKRJMBKJTTDTTQY-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride
CID 123478222
6-(2-aminoethyl)-2-bromo-3-methylphenol
CID 84693265
2-bromo-3-methyl-6-(methylaminomethyl)phenol
CID 84693267
3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84709646
(3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride
CID 84801727
(2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride
CID 117341424
3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid
CID 84713491
2-amino-3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84713730
(5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride
CID 117485801
(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride
CID 117349733
(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117380100
(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonyl chloride
CID 117441436

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride (CID 117482561) is (3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride is Cc1ccc(CS(=O)(=O)Cl)c(O)c1Br.
What is the InChIKey of (3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride?
The InChIKey is KRJMBKJTTDTTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO3S/c1-5-2-3-6(4-14(10,12)13)8(11)7(5)9/h2-3,11H,4H2,1H3.
What are the key properties of (3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride?
(3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride has a molecular weight of 299.57 g/mol, XLogP of 2.53, 2 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-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117482561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).