3-hydroxy-4-methylbenzenesulfonyl chloride

C7H7ClO3S — CID 55279954

IUPAC3-hydroxy-4-methylbenzenesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)cc1O
InChIInChI=1S/C7H7ClO3S/c1-5-2-3-6(4-7(5)9)12(8,10)11/h2-4,9H,1H3
InChIKeyMBLKRNFDDBETRQ-UHFFFAOYSA-N
MW206.65 g/mol
LogP1.63
Rot. Bonds1

About 3-hydroxy-4-methylbenzenesulfonyl chloride

3-hydroxy-4-methylbenzenesulfonyl chloride (PubChem CID 55279954) has the molecular formula C7H7ClO3S and a molecular weight of 206.65 g/mol. Its IUPAC name is 3-hydroxy-4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-hydroxy-4-methylbenzenesulfonyl chloride
PubChem CID55279954
Molecular FormulaC7H7ClO3S
Molecular Weight206.65 g/mol
Exact Mass205.98
IUPAC Name3-hydroxy-4-methylbenzenesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)cc1O
InChIInChI=1S/C7H7ClO3S/c1-5-2-3-6(4-7(5)9)12(8,10)11/h2-4,9H,1H3
InChIKeyMBLKRNFDDBETRQ-UHFFFAOYSA-N
XLogP1.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4,5-dimethylbenzenesulfonyl chloride
CID 130769314
4-bromo-3-hydroxybenzenesulfonyl chloride
CID 84809433
3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride
CID 115059723
5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol
CID 165003603
3-methyl-4-sulfamoylbenzenesulfonyl chloride
CID 63179688
4-hydroxy-3,5-dimethylbenzenesulfonyl chloride
CID 15710042
3-bromo-4-hydroxybenzenesulfonyl chloride
CID 79018057
methyl 4-chlorosulfonyl-2-methylbenzoate
CID 54594899
4-methyl-3-(4-methylphenyl)sulfonylbenzenesulfonyl chloride
CID 54521473
4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide
CID 53219192
4-hydroxy-3-nitrobenzenesulfonyl chloride
CID 3670479
3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride
CID 82307263

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methylbenzenesulfonyl chloride?
The IUPAC name of 3-hydroxy-4-methylbenzenesulfonyl chloride (CID 55279954) is 3-hydroxy-4-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-hydroxy-4-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-hydroxy-4-methylbenzenesulfonyl chloride is Cc1ccc(S(=O)(=O)Cl)cc1O.
What is the InChIKey of 3-hydroxy-4-methylbenzenesulfonyl chloride?
The InChIKey is MBLKRNFDDBETRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO3S/c1-5-2-3-6(4-7(5)9)12(8,10)11/h2-4,9H,1H3.
What are the key properties of 3-hydroxy-4-methylbenzenesulfonyl chloride?
3-hydroxy-4-methylbenzenesulfonyl chloride has a molecular weight of 206.65 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 55279954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).