2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride

C11H15ClO3S — CID 50876030

IUPAC2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H15ClO3S/c1-7(2)9-6-11(16(12,13)14)10(15-4)5-8(9)3/h5-7H,1-4H3
InChIKeyUBIMBVGQPUWCRK-UHFFFAOYSA-N
MW262.76 g/mol
LogP3.05
Rot. Bonds3

About 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride

2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride (PubChem CID 50876030) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride
PubChem CID50876030
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H15ClO3S/c1-7(2)9-6-11(16(12,13)14)10(15-4)5-8(9)3/h5-7H,1-4H3
InChIKeyUBIMBVGQPUWCRK-UHFFFAOYSA-N
XLogP3.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-5-methyl-2-propan-2-ylbenzenesulfonyl chloride
CID 81004564
4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonic acid
CID 82478576
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
CID 1085521
N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39845386
2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride
CID 13179810
4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
CID 747368
(4-tert-butylphenyl) 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonate
CID 146147452
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylacetonitrile
CID 116853692
4-but-2-ynoxy-2-methyl-5-propan-2-ylbenzenesulfonyl chloride
CID 82909797
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669807
1-methoxy-4,5-dimethyl-2-propan-2-ylsulfonylbenzene
CID 117031955
N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39847542

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride?
The IUPAC name of 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride (CID 50876030) is 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride.
What is the SMILES notation for 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride?
The canonical SMILES for 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride is COc1cc(C)c(C(C)C)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride?
The InChIKey is UBIMBVGQPUWCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-7(2)9-6-11(16(12,13)14)10(15-4)5-8(9)3/h5-7H,1-4H3.
What are the key properties of 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride?
2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride is sourced from PubChem (CID 50876030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).