(4-methoxyphenyl)methanesulfonyl fluoride

C8H9FO3S — CID 18958403

IUPAC(4-methoxyphenyl)methanesulfonyl fluoride
SMILESCOc1ccc(CS(=O)(=O)F)cc1
InChIInChI=1S/C8H9FO3S/c1-12-8-4-2-7(3-5-8)6-13(9,10)11/h2-5H,6H2,1H3
InChIKeyCZWBDCOSNUSOIL-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.49
Rot. Bonds3

About (4-methoxyphenyl)methanesulfonyl fluoride

(4-methoxyphenyl)methanesulfonyl fluoride (PubChem CID 18958403) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is (4-methoxyphenyl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(4-methoxyphenyl)methanesulfonyl fluoride
PubChem CID18958403
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Name(4-methoxyphenyl)methanesulfonyl fluoride
SMILESCOc1ccc(CS(=O)(=O)F)cc1
InChIInChI=1S/C8H9FO3S/c1-12-8-4-2-7(3-5-8)6-13(9,10)11/h2-5H,6H2,1H3
InChIKeyCZWBDCOSNUSOIL-UHFFFAOYSA-N
XLogP1.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methoxyphenyl)methanesulfonyl fluoride 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

Anethole
CID 637563
Estragole
CID 8815
5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
CID 2194
4-Methylanisole
CID 7731
cis-Anethole
CID 1549040
4-Methoxystyrene
CID 12507
1-Ethyl-4-methoxybenzene
CID 73690
4-Methoxy-alpha-toluenethiol
CID 80407
1-Methoxy-4-Prop-1-Enylbenzene
CID 7703
1-(Difluoromethyl)-4-methoxybenzene
CID 640454
alpha,alpha-Difluoro-p-methylanisole
CID 74104
Benzene, 1-methoxy-4-(2-methoxyethyl)-
CID 3018929

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methanesulfonyl fluoride?
The IUPAC name of (4-methoxyphenyl)methanesulfonyl fluoride (CID 18958403) is (4-methoxyphenyl)methanesulfonyl fluoride.
What is the SMILES notation for (4-methoxyphenyl)methanesulfonyl fluoride?
The canonical SMILES for (4-methoxyphenyl)methanesulfonyl fluoride is COc1ccc(CS(=O)(=O)F)cc1.
What is the InChIKey of (4-methoxyphenyl)methanesulfonyl fluoride?
The InChIKey is CZWBDCOSNUSOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c1-12-8-4-2-7(3-5-8)6-13(9,10)11/h2-5H,6H2,1H3.
What are the key properties of (4-methoxyphenyl)methanesulfonyl fluoride?
(4-methoxyphenyl)methanesulfonyl fluoride has a molecular weight of 204.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methanesulfonyl fluoride is sourced from PubChem (CID 18958403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).