1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene

C16H15FO4S — CID 134920806

IUPAC1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(/C=C(/F)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H15FO4S/c1-20-13-9-8-12(15(11-13)21-2)10-16(17)22(18,19)14-6-4-3-5-7-14/h3-11H,1-2H3/b16-10-
InChIKeyNJOMTPIICGWEAS-YBEGLDIGSA-N
MW322.36 g/mol
LogP3.45
Rot. Bonds5

About 1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene

1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene (PubChem CID 134920806) has the molecular formula C16H15FO4S and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene
PubChem CID134920806
Molecular FormulaC16H15FO4S
Molecular Weight322.36 g/mol
Exact Mass322.07
IUPAC Name1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(/C=C(/F)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H15FO4S/c1-20-13-9-8-12(15(11-13)21-2)10-16(17)22(18,19)14-6-4-3-5-7-14/h3-11H,1-2H3/b16-10-
InChIKeyNJOMTPIICGWEAS-YBEGLDIGSA-N
XLogP3.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene (CID 134920806) is 1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene is COc1ccc(/C=C(/F)S(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of 1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene?
The InChIKey is NJOMTPIICGWEAS-YBEGLDIGSA-N. The full InChI is InChI=1S/C16H15FO4S/c1-20-13-9-8-12(15(11-13)21-2)10-16(17)22(18,19)14-6-4-3-5-7-14/h3-11H,1-2H3/b16-10-.
What are the key properties of 1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene?
1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene has a molecular weight of 322.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 134920806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).