[(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride

C28H24Cl3NOPS+ — CID 126957815

IUPAC[(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride
SMILESCC(=O)N/C(=C(/Cl)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C28H22Cl2NOPS.ClH/c1-21(32)31-28(27(30)34-26-19-17-22(29)18-20-26)33(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-20H,1H3;1H/p+1/b28-27+;
InChIKeyLKVLXBYPGDTGCJ-RXQWRGDBSA-O
MW559.91 g/mol
LogP7.35
Rot. Bonds7

About [(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride

[(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride (PubChem CID 126957815) has the molecular formula C28H24Cl3NOPS+ and a molecular weight of 559.91 g/mol. Its IUPAC name is [(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride.

Molecular Properties

Compound Name[(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride
PubChem CID126957815
Molecular FormulaC28H24Cl3NOPS+
Molecular Weight559.91 g/mol
Exact Mass558.04
IUPAC Name[(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride
SMILESCC(=O)N/C(=C(/Cl)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C28H22Cl2NOPS.ClH/c1-21(32)31-28(27(30)34-26-19-17-22(29)18-20-26)33(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-20H,1H3;1H/p+1/b28-27+;
InChIKeyLKVLXBYPGDTGCJ-RXQWRGDBSA-O
XLogP7.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.91
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-1-acetamido-2-(4-chlorophenyl)sulfanyl-2-sulfanylethenyl]-triphenylphosphanium
CID 2830295
[(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride
CID 44657111
[(E)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-formamidoethenyl]-triphenylphosphanium
CID 45046560
(1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium iodide
CID 45049454
[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium
CID 54733099
[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid
CID 126958406
[2,2-dichloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium;hydrochloride
CID 126959400
N-[(E)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide
CID 35453094
2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569378
[1-benzamido-2,2-bis(methylsulfanyl)ethenyl]-triphenylphosphanium
CID 3090277
[2-chloro-2-(2-methoxy-2-oxoethyl)sulfanyl-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium
CID 71951269
methyl 2-benzamido-3,3-bis[(4-chlorophenyl)sulfanyl]prop-2-enoate
CID 15562206

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride?
The IUPAC name of [(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride (CID 126957815) is [(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride.
What is the SMILES notation for [(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride?
The canonical SMILES for [(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride is CC(=O)N/C(=C(/Cl)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of [(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride?
The InChIKey is LKVLXBYPGDTGCJ-RXQWRGDBSA-O. The full InChI is InChI=1S/C28H22Cl2NOPS.ClH/c1-21(32)31-28(27(30)34-26-19-17-22(29)18-20-26)33(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-20H,1H3;1H/p+1/b28-27+;.
What are the key properties of [(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride?
[(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride has a molecular weight of 559.91 g/mol, XLogP of 7.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride is sourced from PubChem (CID 126957815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).