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

C22H19ClN2O3S — CID 4052068

IUPAC3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C=Cc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H19ClN2O3S/c1-16-2-13-21(14-3-16)29(27,28)25-20-11-9-19(10-12-20)24-22(26)15-6-17-4-7-18(23)8-5-17/h2-15,25H,1H3,(H,24,26)
InChIKeyDWEGDYYVEBMEAA-UHFFFAOYSA-N
MW426.93 g/mol
LogP5.10
Rot. Bonds6

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

3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide (PubChem CID 4052068) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
PubChem CID4052068
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC Name3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C=Cc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H19ClN2O3S/c1-16-2-13-21(14-3-16)29(27,28)25-20-11-9-19(10-12-20)24-22(26)15-6-17-4-7-18(23)8-5-17/h2-15,25H,1H3,(H,24,26)
InChIKeyDWEGDYYVEBMEAA-UHFFFAOYSA-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'}

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Related Compounds

(E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 1220149
(E)-N-hydroxy-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10914552
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6128596
3-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 3708670
N-(2-aminophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 85314407
3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 67019619
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
(E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 809685
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1329810

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide (CID 4052068) is 3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C=Cc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The InChIKey is DWEGDYYVEBMEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c1-16-2-13-21(14-3-16)29(27,28)25-20-11-9-19(10-12-20)24-22(26)15-6-17-4-7-18(23)8-5-17/h2-15,25H,1H3,(H,24,26).
What are the key properties of 3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide?
3-(4-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 3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide is sourced from PubChem (CID 4052068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).