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

C15H9F6NO3S — CID 71746427

IUPAC(E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)/C=C/c2c(F)c(F)c(F)c(F)c2F)cc1F
InChIInChI=1S/C15H9F6NO3S/c1-25-10-3-2-7(6-9(10)16)22-26(23,24)5-4-8-11(17)13(19)15(21)14(20)12(8)18/h2-6,22H,1H3/b5-4+
InChIKeyRNZZNNTXCWEKIL-SNAWJCMRSA-N
MW397.30 g/mol
LogP3.94
Rot. Bonds5

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

(E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide (PubChem CID 71746427) has the molecular formula C15H9F6NO3S and a molecular weight of 397.30 g/mol. Its IUPAC name is (E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide
PubChem CID71746427
Molecular FormulaC15H9F6NO3S
Molecular Weight397.30 g/mol
Exact Mass397.02
IUPAC Name(E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)/C=C/c2c(F)c(F)c(F)c(F)c2F)cc1F
InChIInChI=1S/C15H9F6NO3S/c1-25-10-3-2-7(6-9(10)16)22-26(23,24)5-4-8-11(17)13(19)15(21)14(20)12(8)18/h2-6,22H,1H3/b5-4+
InChIKeyRNZZNNTXCWEKIL-SNAWJCMRSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 53.94
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
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
(E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide
CID 8518747
2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid
CID 155578468
(E)-2-(2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745323
(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745325
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl] 2,2,2-trifluoroacetate
CID 67102628
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
(E)-2-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745322
(E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide
CID 1487582
(E)-N-[3-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-4-methoxyphenyl]-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 126519478
3,4-difluoro-N-(3-fluoro-4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 22465638

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide (CID 71746427) is (E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide is COc1ccc(NS(=O)(=O)/C=C/c2c(F)c(F)c(F)c(F)c2F)cc1F.
What is the InChIKey of (E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide?
The InChIKey is RNZZNNTXCWEKIL-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H9F6NO3S/c1-25-10-3-2-7(6-9(10)16)22-26(23,24)5-4-8-11(17)13(19)15(21)14(20)12(8)18/h2-6,22H,1H3/b5-4+.
What are the key properties of (E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide?
(E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide has a molecular weight of 397.30 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide is sourced from PubChem (CID 71746427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).