3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride

C12H8Cl2O3S — CID 115059720

IUPAC3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccccc2O)c(Cl)c1
InChIInChI=1S/C12H8Cl2O3S/c13-11-7-8(18(14,16)17)5-6-9(11)10-3-1-2-4-12(10)15/h1-7,15H
InChIKeyZIYMEVUJZZZEKH-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.64
Rot. Bonds2

About 3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride

3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride (PubChem CID 115059720) has the molecular formula C12H8Cl2O3S and a molecular weight of 303.17 g/mol. Its IUPAC name is 3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride
PubChem CID115059720
Molecular FormulaC12H8Cl2O3S
Molecular Weight303.17 g/mol
Exact Mass301.96
IUPAC Name3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccccc2O)c(Cl)c1
InChIInChI=1S/C12H8Cl2O3S/c13-11-7-8(18(14,16)17)5-6-9(11)10-3-1-2-4-12(10)15/h1-7,15H
InChIKeyZIYMEVUJZZZEKH-UHFFFAOYSA-N
XLogP3.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride
CID 115059723
3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid
CID 141399633
3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride
CID 82307263
2-(4-chloronaphthalen-1-yl)phenol
CID 175271825
3-chloro-4-(iodomethyl)benzenesulfonyl chloride
CID 89334301
3-hydroxy-4-methylbenzenesulfonyl chloride
CID 55279954
2-(4,5-diamino-2-chlorophenyl)phenol
CID 153360343
4-bromo-3-hydroxybenzenesulfonyl chloride
CID 84809433
3-bromo-4-hydroxybenzenesulfonyl chloride
CID 79018057
3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride
CID 115059706
3-benzoyl-4-hydroxybenzenesulfonyl chloride
CID 175061802
3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride
CID 87181195

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride (CID 115059720) is 3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2ccccc2O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride?
The InChIKey is ZIYMEVUJZZZEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O3S/c13-11-7-8(18(14,16)17)5-6-9(11)10-3-1-2-4-12(10)15/h1-7,15H.
What are the key properties of 3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride?
3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride has a molecular weight of 303.17 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride is sourced from PubChem (CID 115059720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).