(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride

C9H10Cl2O3S — CID 84808565

IUPAC(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
SMILESCOc1cc(CS(=O)(=O)Cl)c(C)cc1Cl
InChIInChI=1S/C9H10Cl2O3S/c1-6-3-8(10)9(14-2)4-7(6)5-15(11,12)13/h3-4H,5H2,1-2H3
InChIKeyNIKWNRUWOZBBSL-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.73
Rot. Bonds3

About (4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride

(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride (PubChem CID 84808565) has the molecular formula C9H10Cl2O3S and a molecular weight of 269.15 g/mol. Its IUPAC name is (4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
PubChem CID84808565
Molecular FormulaC9H10Cl2O3S
Molecular Weight269.15 g/mol
Exact Mass267.97
IUPAC Name(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
SMILESCOc1cc(CS(=O)(=O)Cl)c(C)cc1Cl
InChIInChI=1S/C9H10Cl2O3S/c1-6-3-8(10)9(14-2)4-7(6)5-15(11,12)13/h3-4H,5H2,1-2H3
InChIKeyNIKWNRUWOZBBSL-UHFFFAOYSA-N
XLogP2.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride
CID 117481621
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472732
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210
1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride
CID 117416230
[2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride
CID 117484340
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
(2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 84698165
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883

Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride (CID 84808565) is (4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride is COc1cc(CS(=O)(=O)Cl)c(C)cc1Cl.
What is the InChIKey of (4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride?
The InChIKey is NIKWNRUWOZBBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O3S/c1-6-3-8(10)9(14-2)4-7(6)5-15(11,12)13/h3-4H,5H2,1-2H3.
What are the key properties of (4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride?
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride has a molecular weight of 269.15 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84808565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).