[2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride

C10H11ClF2O4S — CID 117484340

IUPAC[2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride
SMILESCOc1cc(CS(=O)(=O)Cl)c(C(F)F)cc1OC
InChIInChI=1S/C10H11ClF2O4S/c1-16-8-3-6(5-18(11,14)15)7(10(12)13)4-9(8)17-2/h3-4,10H,5H2,1-2H3
InChIKeyVYRNEEISDHAOJH-UHFFFAOYSA-N
MW300.71 g/mol
LogP2.71
Rot. Bonds5

About [2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride

[2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride (PubChem CID 117484340) has the molecular formula C10H11ClF2O4S and a molecular weight of 300.71 g/mol. Its IUPAC name is [2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride
PubChem CID117484340
Molecular FormulaC10H11ClF2O4S
Molecular Weight300.71 g/mol
Exact Mass300.00
IUPAC Name[2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride
SMILESCOc1cc(CS(=O)(=O)Cl)c(C(F)F)cc1OC
InChIInChI=1S/C10H11ClF2O4S/c1-16-8-3-6(5-18(11,14)15)7(10(12)13)4-9(8)17-2/h3-4,10H,5H2,1-2H3
InChIKeyVYRNEEISDHAOJH-UHFFFAOYSA-N
XLogP2.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472732
[2-(difluoromethyl)-6-methoxyphenyl]methanesulfonyl chloride
CID 117429504
(2,4-dimethoxy-5-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472731
N-[[2-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117337439
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride
CID 117481621
[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
CID 84682512
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069001
(2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117481135

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride?
The IUPAC name of [2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride (CID 117484340) is [2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride.
What is the SMILES notation for [2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride?
The canonical SMILES for [2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride is COc1cc(CS(=O)(=O)Cl)c(C(F)F)cc1OC.
What is the InChIKey of [2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride?
The InChIKey is VYRNEEISDHAOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O4S/c1-16-8-3-6(5-18(11,14)15)7(10(12)13)4-9(8)17-2/h3-4,10H,5H2,1-2H3.
What are the key properties of [2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride?
[2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride has a molecular weight of 300.71 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride is sourced from PubChem (CID 117484340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).