(E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

C23H16F6N2O4S — CID 155155573

IUPAC(E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1)NO
InChIInChI=1S/C23H16F6N2O4S/c24-16-8-5-15(6-9-16)12-31(11-14-3-1-13(2-4-14)7-10-17(32)30-33)36(34,35)23-21(28)19(26)18(25)20(27)22(23)29/h1-10,33H,11-12H2,(H,30,32)/b10-7+
InChIKeyRHONYNZOYYFQEX-JXMROGBWSA-N
MW530.45 g/mol
LogP4.43
Rot. Bonds8

About (E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 155155573) has the molecular formula C23H16F6N2O4S and a molecular weight of 530.45 g/mol. Its IUPAC name is (E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID155155573
Molecular FormulaC23H16F6N2O4S
Molecular Weight530.45 g/mol
Exact Mass530.07
IUPAC Name(E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1)NO
InChIInChI=1S/C23H16F6N2O4S/c24-16-8-5-15(6-9-16)12-31(11-14-3-1-13(2-4-14)7-10-17(32)30-33)36(34,35)23-21(28)19(26)18(25)20(27)22(23)29/h1-10,33H,11-12H2,(H,30,32)/b10-7+
InChIKeyRHONYNZOYYFQEX-JXMROGBWSA-N
XLogP4.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetrafluoro-N-[(4-fluorophenyl)methyl]-N-[[4-[(E)-3-oxobut-1-enyl]phenyl]methyl]benzenesulfonamide
CID 165042854
(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide
CID 20579481
N-cyclopentyl-2,3,4,5,6-pentafluoro-N-[[4-[(E)-3-oxobut-1-enyl]phenyl]methyl]benzenesulfonamide
CID 164953008
[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl] 4-fluorobenzenesulfonate
CID 175271068
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 173039541
N-[[4-(dimethylamino)phenyl]methyl]-2,3,4,5-tetrafluoro-N-[[4-[(E)-3-oxobut-1-enyl]phenyl]methyl]benzenesulfonamide
CID 165042857
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
(E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide
CID 923626
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
(E)-3-(4-fluorophenyl)-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]-2-phenylprop-2-enamide
CID 59475037
3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 155155573) is (E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1)NO.
What is the InChIKey of (E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is RHONYNZOYYFQEX-JXMROGBWSA-N. The full InChI is InChI=1S/C23H16F6N2O4S/c24-16-8-5-15(6-9-16)12-31(11-14-3-1-13(2-4-14)7-10-17(32)30-33)36(34,35)23-21(28)19(26)18(25)20(27)22(23)29/h1-10,33H,11-12H2,(H,30,32)/b10-7+.
What are the key properties of (E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 530.45 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 155155573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).