(E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide

C19H15FN4O3S — CID 2428343

IUPAC(E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H15FN4O3S/c20-15-5-2-14(3-6-15)4-11-18(25)23-16-7-9-17(10-8-16)28(26,27)24-19-21-12-1-13-22-19/h1-13H,(H,23,25)(H,21,22,24)/b11-4+
InChIKeyWJCJCKBPLIJSDI-NYYWCZLTSA-N
MW398.42 g/mol
LogP3.07
Rot. Bonds6

About (E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 2428343) has the molecular formula C19H15FN4O3S and a molecular weight of 398.42 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
PubChem CID2428343
Molecular FormulaC19H15FN4O3S
Molecular Weight398.42 g/mol
Exact Mass398.08
IUPAC Name(E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H15FN4O3S/c20-15-5-2-14(3-6-15)4-11-18(25)23-16-7-9-17(10-8-16)28(26,27)24-19-21-12-1-13-22-19/h1-13H,(H,23,25)(H,21,22,24)/b11-4+
InChIKeyWJCJCKBPLIJSDI-NYYWCZLTSA-N
XLogP3.07
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sulfaperin
CID 68933
Acetylsulfadiazine
CID 64952
N4-Acetylsulfamerazine
CID 67181
Urea deriv. 19
CID 5329825
Urea deriv. 20
CID 5329826
4-({4-[(2-Fluoro-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 6539017
N-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrimidine-5-carboxamide
CID 130431457
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 130431495
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
4-({4-[3-(Piperidin-1-Ylcarbonyl)phenyl]pyrimidin-2-Yl}amino)benzenesulfonamide
CID 60210977
N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 156015222
2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2462840

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide (CID 2428343) is (E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is WJCJCKBPLIJSDI-NYYWCZLTSA-N. The full InChI is InChI=1S/C19H15FN4O3S/c20-15-5-2-14(3-6-15)4-11-18(25)23-16-7-9-17(10-8-16)28(26,27)24-19-21-12-1-13-22-19/h1-13H,(H,23,25)(H,21,22,24)/b11-4+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 398.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 2428343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).