1-fluoro-4-methoxy-2-methylsulfonylbenzene

C8H9FO3S — CID 69311916

IUPAC1-fluoro-4-methoxy-2-methylsulfonylbenzene
SMILESCOc1ccc(F)c(S(C)(=O)=O)c1
InChIInChI=1S/C8H9FO3S/c1-12-6-3-4-7(9)8(5-6)13(2,10)11/h3-5H,1-2H3
InChIKeySFAKRBOMCSFTDM-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.24
Rot. Bonds2

About 1-fluoro-4-methoxy-2-methylsulfonylbenzene

1-fluoro-4-methoxy-2-methylsulfonylbenzene (PubChem CID 69311916) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-fluoro-4-methoxy-2-methylsulfonylbenzene.

Molecular Properties

Compound Name1-fluoro-4-methoxy-2-methylsulfonylbenzene
PubChem CID69311916
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Name1-fluoro-4-methoxy-2-methylsulfonylbenzene
SMILESCOc1ccc(F)c(S(C)(=O)=O)c1
InChIInChI=1S/C8H9FO3S/c1-12-6-3-4-7(9)8(5-6)13(2,10)11/h3-5H,1-2H3
InChIKeySFAKRBOMCSFTDM-UHFFFAOYSA-N
XLogP1.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-fluoro-4-methoxy-2-methylsulfonylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-1-methyl-2-methylsulfonylbenzene
CID 20773204
2-iodo-4-methoxy-1-methylsulfonylbenzene
CID 122362550
2-(4-methoxy-2-methylsulfonylphenyl)propan-2-amine
CID 84802031
1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene
CID 130132950
2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline
CID 164657275
2-fluoro-4-methoxybenzenesulfonic acid;hydrochloride
CID 174836011
N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide
CID 134589497
(2S)-1-(4-fluoro-3-methylsulfonylphenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 51967628
(4-fluoro-3-methylsulfonylphenyl)boronic acid
CID 121229084
4-[2,4-bis(methylsulfonyl)phenoxy]-2-bromo-1-fluorobenzene
CID 133435000
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
2-amino-2-(4-methoxy-2-methylsulfonylphenyl)acetic acid
CID 84806180

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methoxy-2-methylsulfonylbenzene?
The IUPAC name of 1-fluoro-4-methoxy-2-methylsulfonylbenzene (CID 69311916) is 1-fluoro-4-methoxy-2-methylsulfonylbenzene.
What is the SMILES notation for 1-fluoro-4-methoxy-2-methylsulfonylbenzene?
The canonical SMILES for 1-fluoro-4-methoxy-2-methylsulfonylbenzene is COc1ccc(F)c(S(C)(=O)=O)c1.
What is the InChIKey of 1-fluoro-4-methoxy-2-methylsulfonylbenzene?
The InChIKey is SFAKRBOMCSFTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c1-12-6-3-4-7(9)8(5-6)13(2,10)11/h3-5H,1-2H3.
What are the key properties of 1-fluoro-4-methoxy-2-methylsulfonylbenzene?
1-fluoro-4-methoxy-2-methylsulfonylbenzene has a molecular weight of 204.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methoxy-2-methylsulfonylbenzene is sourced from PubChem (CID 69311916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).