(E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide

C23H19Cl2NO3S — CID 19211798

IUPAC(E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(N(C(=O)/C=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19Cl2NO3S/c1-2-17-8-13-20(14-9-17)26(30(28,29)21-6-4-3-5-7-21)23(27)15-11-18-10-12-19(24)16-22(18)25/h3-16H,2H2,1H3/b15-11+
InChIKeyDTJCNHHBYQQAMJ-RVDMUPIBSA-N
MW460.38 g/mol
LogP5.99
Rot. Bonds6

About (E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide

(E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide (PubChem CID 19211798) has the molecular formula C23H19Cl2NO3S and a molecular weight of 460.38 g/mol. Its IUPAC name is (E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
PubChem CID19211798
Molecular FormulaC23H19Cl2NO3S
Molecular Weight460.38 g/mol
Exact Mass459.05
IUPAC Name(E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(N(C(=O)/C=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19Cl2NO3S/c1-2-17-8-13-20(14-9-17)26(30(28,29)21-6-4-3-5-7-21)23(27)15-11-18-10-12-19(24)16-22(18)25/h3-16H,2H2,1H3/b15-11+
InChIKeyDTJCNHHBYQQAMJ-RVDMUPIBSA-N
XLogP5.99
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.38
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-methylphenyl)prop-2-enamide
CID 19211796
(E)-N-(benzenesulfonyl)-3-(4-chlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 19211863
(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
CID 19211834
(E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide
CID 19211893
(E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide
CID 19211903
(E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 19212038
(E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide
CID 2343564
(E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19211810
(E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
CID 60740083
(E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 19219540
2-[carboxymethyl-[3-(2,4-dichlorophenyl)prop-2-enoyl]amino]acetic acid
CID 77003345
N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide
CID 19210712

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide (CID 19211798) is (E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide is CCc1ccc(N(C(=O)/C=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide?
The InChIKey is DTJCNHHBYQQAMJ-RVDMUPIBSA-N. The full InChI is InChI=1S/C23H19Cl2NO3S/c1-2-17-8-13-20(14-9-17)26(30(28,29)21-6-4-3-5-7-21)23(27)15-11-18-10-12-19(24)16-22(18)25/h3-16H,2H2,1H3/b15-11+.
What are the key properties of (E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide?
(E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide has a molecular weight of 460.38 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 19211798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).