(E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C19H18ClFN2O4S — CID 2683173

IUPAC(E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H18ClFN2O4S/c20-17-13-15(4-7-18(17)21)22-19(24)8-3-14-1-5-16(6-2-14)28(25,26)23-9-11-27-12-10-23/h1-8,13H,9-12H2,(H,22,24)/b8-3+
InChIKeyQQKGBONZXOIHNN-FPYGCLRLSA-N
MW424.88 g/mol
LogP3.15
Rot. Bonds5

About (E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

(E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 2683173) has the molecular formula C19H18ClFN2O4S and a molecular weight of 424.88 g/mol. Its IUPAC name is (E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID2683173
Molecular FormulaC19H18ClFN2O4S
Molecular Weight424.88 g/mol
Exact Mass424.07
IUPAC Name(E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H18ClFN2O4S/c20-17-13-15(4-7-18(17)21)22-19(24)8-3-14-1-5-16(6-2-14)28(25,26)23-9-11-27-12-10-23/h1-8,13H,9-12H2,(H,22,24)/b8-3+
InChIKeyQQKGBONZXOIHNN-FPYGCLRLSA-N
XLogP3.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)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

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 2683173) is (E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is QQKGBONZXOIHNN-FPYGCLRLSA-N. The full InChI is InChI=1S/C19H18ClFN2O4S/c20-17-13-15(4-7-18(17)21)22-19(24)8-3-14-1-5-16(6-2-14)28(25,26)23-9-11-27-12-10-23/h1-8,13H,9-12H2,(H,22,24)/b8-3+.
What are the key properties of (E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 424.88 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chloro-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 2683173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).