4,5-dimethoxy-2-methylbenzenesulfonyl fluoride

C9H11FO4S — CID 82475781

IUPAC4,5-dimethoxy-2-methylbenzenesulfonyl fluoride
SMILESCOc1cc(C)c(S(=O)(=O)F)cc1OC
InChIInChI=1S/C9H11FO4S/c1-6-4-7(13-2)8(14-3)5-9(6)15(10,11)12/h4-5H,1-3H3
InChIKeyDUHHQUYZBZMHMM-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.67
Rot. Bonds3

About 4,5-dimethoxy-2-methylbenzenesulfonyl fluoride

4,5-dimethoxy-2-methylbenzenesulfonyl fluoride (PubChem CID 82475781) has the molecular formula C9H11FO4S and a molecular weight of 234.25 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name4,5-dimethoxy-2-methylbenzenesulfonyl fluoride
PubChem CID82475781
Molecular FormulaC9H11FO4S
Molecular Weight234.25 g/mol
Exact Mass234.04
IUPAC Name4,5-dimethoxy-2-methylbenzenesulfonyl fluoride
SMILESCOc1cc(C)c(S(=O)(=O)F)cc1OC
InChIInChI=1S/C9H11FO4S/c1-6-4-7(13-2)8(14-3)5-9(6)15(10,11)12/h4-5H,1-3H3
InChIKeyDUHHQUYZBZMHMM-UHFFFAOYSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
2-methoxy-4-methylbenzenesulfonyl fluoride
CID 141209179
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol
CID 116852786
1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene
CID 23312101
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
4-bromo-5-methoxy-2-methylbenzenesulfonamide
CID 154254262
N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide
CID 55104084
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
2,5-dimethoxy-N,4-dimethylbenzenesulfonamide
CID 50876508

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methylbenzenesulfonyl fluoride?
The IUPAC name of 4,5-dimethoxy-2-methylbenzenesulfonyl fluoride (CID 82475781) is 4,5-dimethoxy-2-methylbenzenesulfonyl fluoride.
What is the SMILES notation for 4,5-dimethoxy-2-methylbenzenesulfonyl fluoride?
The canonical SMILES for 4,5-dimethoxy-2-methylbenzenesulfonyl fluoride is COc1cc(C)c(S(=O)(=O)F)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-methylbenzenesulfonyl fluoride?
The InChIKey is DUHHQUYZBZMHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO4S/c1-6-4-7(13-2)8(14-3)5-9(6)15(10,11)12/h4-5H,1-3H3.
What are the key properties of 4,5-dimethoxy-2-methylbenzenesulfonyl fluoride?
4,5-dimethoxy-2-methylbenzenesulfonyl fluoride has a molecular weight of 234.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methylbenzenesulfonyl fluoride is sourced from PubChem (CID 82475781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).