(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide

C17H16ClNO4S — CID 52636492

IUPAC(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO4S/c1-2-23-15-8-10-16(11-9-15)24(21,22)19-17(20)12-5-13-3-6-14(18)7-4-13/h3-12H,2H2,1H3,(H,19,20)/b12-5+
InChIKeyZPQUFEXJSNVLSH-LFYBBSHMSA-N
MW365.84 g/mol
LogP3.26
Rot. Bonds6

About (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide

(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide (PubChem CID 52636492) has the molecular formula C17H16ClNO4S and a molecular weight of 365.84 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide
PubChem CID52636492
Molecular FormulaC17H16ClNO4S
Molecular Weight365.84 g/mol
Exact Mass365.05
IUPAC Name(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO4S/c1-2-23-15-8-10-16(11-9-15)24(21,22)19-17(20)12-5-13-3-6-14(18)7-4-13/h3-12H,2H2,1H3,(H,19,20)/b12-5+
InChIKeyZPQUFEXJSNVLSH-LFYBBSHMSA-N
XLogP3.26
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide
CID 97456090
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 103597971
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227087
(E)-N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227638
S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate
CID 678954
(E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide
CID 47232697
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
(E)-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227694

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide (CID 52636492) is (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide is CCOc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide?
The InChIKey is ZPQUFEXJSNVLSH-LFYBBSHMSA-N. The full InChI is InChI=1S/C17H16ClNO4S/c1-2-23-15-8-10-16(11-9-15)24(21,22)19-17(20)12-5-13-3-6-14(18)7-4-13/h3-12H,2H2,1H3,(H,19,20)/b12-5+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide has a molecular weight of 365.84 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide is sourced from PubChem (CID 52636492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).