5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride

C15H15ClO2S — CID 82307949

IUPAC5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride
SMILESCc1cc(C)cc(-c2ccc(C)c(S(=O)(=O)Cl)c2)c1
InChIInChI=1S/C15H15ClO2S/c1-10-6-11(2)8-14(7-10)13-5-4-12(3)15(9-13)19(16,17)18/h4-9H,1-3H3
InChIKeyIAUIXBYBLOUSHI-UHFFFAOYSA-N
MW294.80 g/mol
LogP4.21
Rot. Bonds2

About 5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride

5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride (PubChem CID 82307949) has the molecular formula C15H15ClO2S and a molecular weight of 294.80 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride
PubChem CID82307949
Molecular FormulaC15H15ClO2S
Molecular Weight294.80 g/mol
Exact Mass294.05
IUPAC Name5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride
SMILESCc1cc(C)cc(-c2ccc(C)c(S(=O)(=O)Cl)c2)c1
InChIInChI=1S/C15H15ClO2S/c1-10-6-11(2)8-14(7-10)13-5-4-12(3)15(9-13)19(16,17)18/h4-9H,1-3H3
InChIKeyIAUIXBYBLOUSHI-UHFFFAOYSA-N
XLogP4.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3,5-dimethylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride?
The IUPAC name of 5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride (CID 82307949) is 5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride is Cc1cc(C)cc(-c2ccc(C)c(S(=O)(=O)Cl)c2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride?
The InChIKey is IAUIXBYBLOUSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2S/c1-10-6-11(2)8-14(7-10)13-5-4-12(3)15(9-13)19(16,17)18/h4-9H,1-3H3.
What are the key properties of 5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride?
5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride has a molecular weight of 294.80 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 82307949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).