(E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide

C15H10Cl3NO2S — CID 1473969

IUPAC(E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide
SMILESO=C(Nc1ccccc1Cl)/C(Cl)=C(\Cl)S(=O)c1ccccc1
InChIInChI=1S/C15H10Cl3NO2S/c16-11-8-4-5-9-12(11)19-15(20)13(17)14(18)22(21)10-6-2-1-3-7-10/h1-9H,(H,19,20)/b14-13-
InChIKeyQDVKVCVAEINLGA-YPKPFQOOSA-N
MW374.68 g/mol
LogP4.73
Rot. Bonds4

About (E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide

(E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide (PubChem CID 1473969) has the molecular formula C15H10Cl3NO2S and a molecular weight of 374.68 g/mol. Its IUPAC name is (E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide
PubChem CID1473969
Molecular FormulaC15H10Cl3NO2S
Molecular Weight374.68 g/mol
Exact Mass372.95
IUPAC Name(E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide
SMILESO=C(Nc1ccccc1Cl)/C(Cl)=C(\Cl)S(=O)c1ccccc1
InChIInChI=1S/C15H10Cl3NO2S/c16-11-8-4-5-9-12(11)19-15(20)13(17)14(18)22(21)10-6-2-1-3-7-10/h1-9H,(H,19,20)/b14-13-
InChIKeyQDVKVCVAEINLGA-YPKPFQOOSA-N
XLogP4.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.68
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide (CID 1473969) is (E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide is O=C(Nc1ccccc1Cl)/C(Cl)=C(\Cl)S(=O)c1ccccc1.
What is the InChIKey of (E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide?
The InChIKey is QDVKVCVAEINLGA-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H10Cl3NO2S/c16-11-8-4-5-9-12(11)19-15(20)13(17)14(18)22(21)10-6-2-1-3-7-10/h1-9H,(H,19,20)/b14-13-.
What are the key properties of (E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide?
(E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide has a molecular weight of 374.68 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(benzenesulfinyl)-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 1473969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).