(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride

C11H14Cl2O4S — CID 117498210

IUPAC(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
SMILESCCc1c(CS(=O)(=O)Cl)cc(OC)c(OC)c1Cl
InChIInChI=1S/C11H14Cl2O4S/c1-4-8-7(6-18(13,14)15)5-9(16-2)11(17-3)10(8)12/h5H,4,6H2,1-3H3
InChIKeyCGIKHOTVJPTZNK-UHFFFAOYSA-N
MW313.20 g/mol
LogP2.99
Rot. Bonds5

About (3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride

(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride (PubChem CID 117498210) has the molecular formula C11H14Cl2O4S and a molecular weight of 313.20 g/mol. Its IUPAC name is (3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
PubChem CID117498210
Molecular FormulaC11H14Cl2O4S
Molecular Weight313.20 g/mol
Exact Mass312.00
IUPAC Name(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
SMILESCCc1c(CS(=O)(=O)Cl)cc(OC)c(OC)c1Cl
InChIInChI=1S/C11H14Cl2O4S/c1-4-8-7(6-18(13,14)15)5-9(16-2)11(17-3)10(8)12/h5H,4,6H2,1-3H3
InChIKeyCGIKHOTVJPTZNK-UHFFFAOYSA-N
XLogP2.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol
CID 117363854
1,2-diethyl-3,4,5-trimethoxybenzene
CID 123966014
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565
2-(3-chloro-2,4,5-trimethoxyphenyl)acetic acid
CID 117406003
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride
CID 117454939
[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride
CID 117481621
(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
CID 117478459
(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 117469959
(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472732
(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117495921
1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117432208

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride (CID 117498210) is (3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride is CCc1c(CS(=O)(=O)Cl)cc(OC)c(OC)c1Cl.
What is the InChIKey of (3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride?
The InChIKey is CGIKHOTVJPTZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O4S/c1-4-8-7(6-18(13,14)15)5-9(16-2)11(17-3)10(8)12/h5H,4,6H2,1-3H3.
What are the key properties of (3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride?
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride has a molecular weight of 313.20 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117498210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).