2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride

C16H17ClO3S — CID 61028881

IUPAC2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride
SMILESCc1cc(C)cc(COc2ccc(C)cc2S(=O)(=O)Cl)c1
InChIInChI=1S/C16H17ClO3S/c1-11-4-5-15(16(9-11)21(17,18)19)20-10-14-7-12(2)6-13(3)8-14/h4-9H,10H2,1-3H3
InChIKeyAAHKJQFYVAUSGQ-UHFFFAOYSA-N
MW324.83 g/mol
LogP4.12
Rot. Bonds4

About 2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride

2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride (PubChem CID 61028881) has the molecular formula C16H17ClO3S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride
PubChem CID61028881
Molecular FormulaC16H17ClO3S
Molecular Weight324.83 g/mol
Exact Mass324.06
IUPAC Name2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride
SMILESCc1cc(C)cc(COc2ccc(C)cc2S(=O)(=O)Cl)c1
InChIInChI=1S/C16H17ClO3S/c1-11-4-5-15(16(9-11)21(17,18)19)20-10-14-7-12(2)6-13(3)8-14/h4-9H,10H2,1-3H3
InChIKeyAAHKJQFYVAUSGQ-UHFFFAOYSA-N
XLogP4.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride
CID 43111244
2-[(E)-but-2-enoxy]-5-methylbenzenesulfonyl chloride
CID 82909624
2-heptoxy-5-methylbenzenesulfonyl chloride
CID 43129113
5-methyl-2-(2-methylbutoxy)benzenesulfonyl chloride
CID 78986414
2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride
CID 82909777
2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
CID 82910026
5-methyl-2-[2-(3-methylbutoxy)ethoxy]benzenesulfonyl chloride
CID 61483543
2-(3-cyano-3-methylbutoxy)-5-methylbenzenesulfonyl chloride
CID 82909865
2-hept-6-enoxy-5-methylbenzenesulfonyl chloride
CID 107006365
1-[[2-(bromomethyl)-4-methylphenoxy]methyl]-3,5-dimethylbenzene
CID 63536416
(2-chlorosulfonyl-4-methylphenyl) acetate
CID 55279906
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride
CID 82911885

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride?
The IUPAC name of 2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride (CID 61028881) is 2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride is Cc1cc(C)cc(COc2ccc(C)cc2S(=O)(=O)Cl)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride?
The InChIKey is AAHKJQFYVAUSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3S/c1-11-4-5-15(16(9-11)21(17,18)19)20-10-14-7-12(2)6-13(3)8-14/h4-9H,10H2,1-3H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride?
2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride has a molecular weight of 324.83 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 61028881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).