2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide

C15H10F5NO3S — CID 173031233

IUPAC2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide
SMILESCOc1ccc(C=CS(=O)(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H10F5NO3S/c1-24-9-4-2-8(3-5-9)6-7-25(22,23)21-15-13(19)11(17)10(16)12(18)14(15)20/h2-7,21H,1H3
InChIKeyYTUTYBHCVCDWNX-UHFFFAOYSA-N
MW379.31 g/mol
LogP3.80
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide

2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide (PubChem CID 173031233) has the molecular formula C15H10F5NO3S and a molecular weight of 379.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide
PubChem CID173031233
Molecular FormulaC15H10F5NO3S
Molecular Weight379.31 g/mol
Exact Mass379.03
IUPAC Name2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide
SMILESCOc1ccc(C=CS(=O)(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H10F5NO3S/c1-24-9-4-2-8(3-5-9)6-7-25(22,23)21-15-13(19)11(17)10(16)12(18)14(15)20/h2-7,21H,1H3
InChIKeyYTUTYBHCVCDWNX-UHFFFAOYSA-N
XLogP3.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide
CID 70038153
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425
(E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 60532924
1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene
CID 54452495
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-methoxy-4-prop-1-enylbenzene
CID 67322568
(E)-N-(4-methoxyphenyl)prop-1-ene-1-sulfonamide
CID 70401574
(E)-2-(2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745323
1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene
CID 13140763
(E)-N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide
CID 90553146
2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide
CID 54199347
(E)-2-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745322

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide (CID 173031233) is 2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide is COc1ccc(C=CS(=O)(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide?
The InChIKey is YTUTYBHCVCDWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5NO3S/c1-24-9-4-2-8(3-5-9)6-7-25(22,23)21-15-13(19)11(17)10(16)12(18)14(15)20/h2-7,21H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide?
2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide has a molecular weight of 379.31 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide is sourced from PubChem (CID 173031233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).