4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride

C15H14Cl2O3S — CID 43436519

IUPAC4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride
SMILESCc1cc(Oc2cc(C)c(Cl)c(C)c2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C15H14Cl2O3S/c1-9-6-12(4-5-14(9)21(17,18)19)20-13-7-10(2)15(16)11(3)8-13/h4-8H,1-3H3
InChIKeyLLTNSOBZQBEHBQ-UHFFFAOYSA-N
MW345.25 g/mol
LogP4.99
Rot. Bonds3

About 4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride

4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride (PubChem CID 43436519) has the molecular formula C15H14Cl2O3S and a molecular weight of 345.25 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride
PubChem CID43436519
Molecular FormulaC15H14Cl2O3S
Molecular Weight345.25 g/mol
Exact Mass344.00
IUPAC Name4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride
SMILESCc1cc(Oc2cc(C)c(Cl)c(C)c2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C15H14Cl2O3S/c1-9-6-12(4-5-14(9)21(17,18)19)20-13-7-10(2)15(16)11(3)8-13/h4-8H,1-3H3
InChIKeyLLTNSOBZQBEHBQ-UHFFFAOYSA-N
XLogP4.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-(4-propan-2-ylphenoxy)benzenesulfonyl chloride
CID 43436473
4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride
CID 43436489
4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide
CID 43175694
4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride
CID 23452824
4-(3-fluoropropoxy)-2-methylbenzenesulfonyl chloride
CID 81106046
4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 60725527
4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
CID 43436537
4-[(E)-but-2-enoxy]-2-methylbenzenesulfonyl chloride
CID 82915922
4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 103046517
2-methyl-4-(2-methylbutoxy)benzenesulfonyl chloride
CID 82911652
2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride
CID 64554785
4-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-2-methylbenzenesulfonyl chloride
CID 82916562

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride?
The IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride (CID 43436519) is 4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride is Cc1cc(Oc2cc(C)c(Cl)c(C)c2)ccc1S(=O)(=O)Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride?
The InChIKey is LLTNSOBZQBEHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O3S/c1-9-6-12(4-5-14(9)21(17,18)19)20-13-7-10(2)15(16)11(3)8-13/h4-8H,1-3H3.
What are the key properties of 4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride?
4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride has a molecular weight of 345.25 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 43436519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).