(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride

C10H12Cl2O3S — CID 117454939

IUPAC(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride
SMILESCOc1c(Cl)c(C)cc(C)c1CS(=O)(=O)Cl
InChIInChI=1S/C10H12Cl2O3S/c1-6-4-7(2)9(11)10(15-3)8(6)5-16(12,13)14/h4H,5H2,1-3H3
InChIKeyQHUGGEBAYZPPOW-UHFFFAOYSA-N
MW283.18 g/mol
LogP3.03
Rot. Bonds3

About (3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride

(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride (PubChem CID 117454939) has the molecular formula C10H12Cl2O3S and a molecular weight of 283.18 g/mol. Its IUPAC name is (3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride
PubChem CID117454939
Molecular FormulaC10H12Cl2O3S
Molecular Weight283.18 g/mol
Exact Mass281.99
IUPAC Name(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride
SMILESCOc1c(Cl)c(C)cc(C)c1CS(=O)(=O)Cl
InChIInChI=1S/C10H12Cl2O3S/c1-6-4-7(2)9(11)10(15-3)8(6)5-16(12,13)14/h4H,5H2,1-3H3
InChIKeyQHUGGEBAYZPPOW-UHFFFAOYSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid
CID 84692181
3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine
CID 117328034
(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 84813942
(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117458959
(2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride
CID 84804403
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210
(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 117380103
(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117380100
(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride
CID 117416230
(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 117469959
(2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 84698165
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride?
The IUPAC name of (3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride (CID 117454939) is (3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride?
The canonical SMILES for (3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride is COc1c(Cl)c(C)cc(C)c1CS(=O)(=O)Cl.
What is the InChIKey of (3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride?
The InChIKey is QHUGGEBAYZPPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O3S/c1-6-4-7(2)9(11)10(15-3)8(6)5-16(12,13)14/h4H,5H2,1-3H3.
What are the key properties of (3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride?
(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride has a molecular weight of 283.18 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117454939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).