2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride

C15H15ClO3S — CID 18791826

IUPAC2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride
SMILESCc1cc(Oc2ccccc2S(=O)(=O)Cl)cc(C)c1C
InChIInChI=1S/C15H15ClO3S/c1-10-8-13(9-11(2)12(10)3)19-14-6-4-5-7-15(14)20(16,17)18/h4-9H,1-3H3
InChIKeyVUAYZCYYXNAMTE-UHFFFAOYSA-N
MW310.80 g/mol
LogP4.33
Rot. Bonds3

About 2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride

2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride (PubChem CID 18791826) has the molecular formula C15H15ClO3S and a molecular weight of 310.80 g/mol. Its IUPAC name is 2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride
PubChem CID18791826
Molecular FormulaC15H15ClO3S
Molecular Weight310.80 g/mol
Exact Mass310.04
IUPAC Name2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride
SMILESCc1cc(Oc2ccccc2S(=O)(=O)Cl)cc(C)c1C
InChIInChI=1S/C15H15ClO3S/c1-10-8-13(9-11(2)12(10)3)19-14-6-4-5-7-15(14)20(16,17)18/h4-9H,1-3H3
InChIKeyVUAYZCYYXNAMTE-UHFFFAOYSA-N
XLogP4.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butan-2-yl-3-methylphenoxy)benzenesulfonyl chloride
CID 18705169
2-(4-chlorophenoxy)benzenesulfonyl chloride
CID 18687924
2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride
CID 87588000
4-oxo-3-[[2-(3,4,5-trimethylphenoxy)phenyl]sulfonylamino]butanoic acid
CID 18705146
(3S)-4-oxo-3-[[2-(3,4,5-trimethylphenoxy)phenyl]sulfonylamino]butanoic acid
CID 15888286
4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride
CID 43436519
2-(methoxymethoxy)benzenesulfonyl chloride
CID 131454177
2-butoxybenzenesulfonyl chloride
CID 21253032
2-(2-methoxyethoxy)benzenesulfonyl chloride
CID 75466193
2,3,5-trimethylbenzenesulfonyl chloride
CID 87650117
2-(1-chloronaphthalen-2-yl)oxybenzenesulfonyl chloride
CID 18705215
3-chlorosulfonyl-4-phenoxybenzoic acid
CID 125468626

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride?
The IUPAC name of 2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride (CID 18791826) is 2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride?
The canonical SMILES for 2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride is Cc1cc(Oc2ccccc2S(=O)(=O)Cl)cc(C)c1C.
What is the InChIKey of 2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride?
The InChIKey is VUAYZCYYXNAMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3S/c1-10-8-13(9-11(2)12(10)3)19-14-6-4-5-7-15(14)20(16,17)18/h4-9H,1-3H3.
What are the key properties of 2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride?
2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride has a molecular weight of 310.80 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 18791826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).