2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene

C17H17FO4S — CID 134921032

IUPAC2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(/C(C)=C(/F)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H17FO4S/c1-12(15-11-13(21-2)9-10-16(15)22-3)17(18)23(19,20)14-7-5-4-6-8-14/h4-11H,1-3H3/b17-12-
InChIKeyCDAWNGFVBIFSLM-ATVHPVEESA-N
MW336.38 g/mol
LogP3.84
Rot. Bonds5

About 2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene

2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene (PubChem CID 134921032) has the molecular formula C17H17FO4S and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene
PubChem CID134921032
Molecular FormulaC17H17FO4S
Molecular Weight336.38 g/mol
Exact Mass336.08
IUPAC Name2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(/C(C)=C(/F)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H17FO4S/c1-12(15-11-13(21-2)9-10-16(15)22-3)17(18)23(19,20)14-7-5-4-6-8-14/h4-11H,1-3H3/b17-12-
InChIKeyCDAWNGFVBIFSLM-ATVHPVEESA-N
XLogP3.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene?
The IUPAC name of 2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene (CID 134921032) is 2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene.
What is the SMILES notation for 2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene?
The canonical SMILES for 2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene is COc1ccc(OC)c(/C(C)=C(/F)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene?
The InChIKey is CDAWNGFVBIFSLM-ATVHPVEESA-N. The full InChI is InChI=1S/C17H17FO4S/c1-12(15-11-13(21-2)9-10-16(15)22-3)17(18)23(19,20)14-7-5-4-6-8-14/h4-11H,1-3H3/b17-12-.
What are the key properties of 2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene?
2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene has a molecular weight of 336.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-1,4-dimethoxybenzene is sourced from PubChem (CID 134921032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).