(E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide

C21H16ClNO3S — CID 19211893

IUPAC(E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)N(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H16ClNO3S/c22-20-14-8-7-9-17(20)15-16-21(24)23(18-10-3-1-4-11-18)27(25,26)19-12-5-2-6-13-19/h1-16H/b16-15+
InChIKeyZAYZQXVZVODHMH-FOCLMDBBSA-N
MW397.88 g/mol
LogP4.78
Rot. Bonds5

About (E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide

(E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide (PubChem CID 19211893) has the molecular formula C21H16ClNO3S and a molecular weight of 397.88 g/mol. Its IUPAC name is (E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide
PubChem CID19211893
Molecular FormulaC21H16ClNO3S
Molecular Weight397.88 g/mol
Exact Mass397.05
IUPAC Name(E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)N(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H16ClNO3S/c22-20-14-8-7-9-17(20)15-16-21(24)23(18-10-3-1-4-11-18)27(25,26)19-12-5-2-6-13-19/h1-16H/b16-15+
InChIKeyZAYZQXVZVODHMH-FOCLMDBBSA-N
XLogP4.78
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 54.78
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)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide
CID 19211903
(E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 19211798
(E)-N-(benzenesulfonyl)-3-(4-chlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 19211863
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
CID 19211834
(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 19211692
(E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 19219540
(E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide
CID 17256732
4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-N,N-diethylbenzenesulfonamide
CID 6175557
4-[3-(2-chlorophenyl)prop-2-enoyl]-N,N-diethylbenzenesulfonamide
CID 4650336
(E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 879942

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide?
The IUPAC name of (E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide (CID 19211893) is (E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide is O=C(/C=C/c1ccccc1Cl)N(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide?
The InChIKey is ZAYZQXVZVODHMH-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H16ClNO3S/c22-20-14-8-7-9-17(20)15-16-21(24)23(18-10-3-1-4-11-18)27(25,26)19-12-5-2-6-13-19/h1-16H/b16-15+.
What are the key properties of (E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide?
(E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide has a molecular weight of 397.88 g/mol, XLogP of 4.78, 5 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-chlorophenyl)-N-phenylprop-2-enamide is sourced from PubChem (CID 19211893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).