(Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide

C27H20FN3O5S — CID 28589955

IUPAC(Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)/C(=C\c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C27H20FN3O5S/c28-21-9-11-23(12-10-21)30-37(35,36)25-15-13-22(14-16-25)29-27(32)26(20-6-2-1-3-7-20)18-19-5-4-8-24(17-19)31(33)34/h1-18,30H,(H,29,32)/b26-18-
InChIKeyTZLUHEMNFHXUGO-ITYLOYPMSA-N
MW517.54 g/mol
LogP5.71
Rot. Bonds8

About (Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide

(Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide (PubChem CID 28589955) has the molecular formula C27H20FN3O5S and a molecular weight of 517.54 g/mol. Its IUPAC name is (Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
PubChem CID28589955
Molecular FormulaC27H20FN3O5S
Molecular Weight517.54 g/mol
Exact Mass517.11
IUPAC Name(Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)/C(=C\c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C27H20FN3O5S/c28-21-9-11-23(12-10-21)30-37(35,36)25-15-13-22(14-16-25)29-27(32)26(20-6-2-1-3-7-20)18-19-5-4-8-24(17-19)31(33)34/h1-18,30H,(H,29,32)/b26-18-
InChIKeyTZLUHEMNFHXUGO-ITYLOYPMSA-N
XLogP5.71
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.54
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1334103
(E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 2269158
(E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 126035738
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 30394970
N-(3-methylsulfanylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1302186
N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001
(E)-N-(4-bromo-3-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 126274701
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3-nitrophenyl)acetamide
CID 26561646
N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1326817
N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772942
2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 2937591
(E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 133165383

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide (CID 28589955) is (Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)/C(=C\c1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of (Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
The InChIKey is TZLUHEMNFHXUGO-ITYLOYPMSA-N. The full InChI is InChI=1S/C27H20FN3O5S/c28-21-9-11-23(12-10-21)30-37(35,36)25-15-13-22(14-16-25)29-27(32)26(20-6-2-1-3-7-20)18-19-5-4-8-24(17-19)31(33)34/h1-18,30H,(H,29,32)/b26-18-.
What are the key properties of (Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
(Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide has a molecular weight of 517.54 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 28589955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).