(E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide

C22H19ClN2O3S — CID 1220149

IUPAC(E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C22H19ClN2O3S/c1-16-5-12-21(13-6-16)29(27,28)25-20-10-8-19(9-11-20)24-22(26)14-7-17-3-2-4-18(23)15-17/h2-15,25H,1H3,(H,24,26)/b14-7+
InChIKeyKQNQRVSISIGRCM-VGOFMYFVSA-N
MW426.93 g/mol
LogP5.10
Rot. Bonds6

About (E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide

(E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide (PubChem CID 1220149) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
PubChem CID1220149
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC Name(E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C22H19ClN2O3S/c1-16-5-12-21(13-6-16)29(27,28)25-20-10-8-19(9-11-20)24-22(26)14-7-17-3-2-4-18(23)15-17/h2-15,25H,1H3,(H,24,26)/b14-7+
InChIKeyKQNQRVSISIGRCM-VGOFMYFVSA-N
XLogP5.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.93
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]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

3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068
(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 42994544
3-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 3708670
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1329810
(E)-N-[3-[(4-bromophenyl)sulfamoyl]phenyl]-3-(3-chlorophenyl)prop-2-enamide
CID 6179194
3-(3-chlorophenyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]prop-2-enamide
CID 74954141
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6128596
(E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 2429875
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
(E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 55349221
(E)-N-hydroxy-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10914552

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide (CID 1220149) is (E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The InChIKey is KQNQRVSISIGRCM-VGOFMYFVSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c1-16-5-12-21(13-6-16)29(27,28)25-20-10-8-19(9-11-20)24-22(26)14-7-17-3-2-4-18(23)15-17/h2-15,25H,1H3,(H,24,26)/b14-7+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide has a molecular weight of 426.93 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide is sourced from PubChem (CID 1220149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).