N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide

C16H16FNO4S — CID 70038153

IUPACN-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide
SMILESCOc1ccc(C=CS(=O)(=O)Nc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C16H16FNO4S/c1-21-14-6-3-12(4-7-14)9-10-23(19,20)18-13-5-8-16(22-2)15(17)11-13/h3-11,18H,1-2H3
InChIKeyTWIPXPBEGMRGLI-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.26
Rot. Bonds6

About N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide

N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide (PubChem CID 70038153) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide
PubChem CID70038153
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide
SMILESCOc1ccc(C=CS(=O)(=O)Nc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C16H16FNO4S/c1-21-14-6-3-12(4-7-14)9-10-23(19,20)18-13-5-8-16(22-2)15(17)11-13/h3-11,18H,1-2H3
InChIKeyTWIPXPBEGMRGLI-UHFFFAOYSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide
CID 71746427
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425
(E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide
CID 8518747
2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide
CID 173031233
(E)-2-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745322
(E)-2-(2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745323
(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745325
(E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide
CID 1487582
N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371317
(E)-N-(4-methoxyphenyl)prop-1-ene-1-sulfonamide
CID 70401574
(E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide
CID 75535525
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl] 2,2,2-trifluoroacetate
CID 67102628

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide (CID 70038153) is N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide is COc1ccc(C=CS(=O)(=O)Nc2ccc(OC)c(F)c2)cc1.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide?
The InChIKey is TWIPXPBEGMRGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-21-14-6-3-12(4-7-14)9-10-23(19,20)18-13-5-8-16(22-2)15(17)11-13/h3-11,18H,1-2H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide?
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide has a molecular weight of 337.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide is sourced from PubChem (CID 70038153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).