[(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride

C34H27Cl3NOPS — CID 44657111

IUPAC[(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride
SMILESCc1ccc(S/C(Cl)=C(\NC(=O)c2ccc(Cl)cc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C34H26Cl2NOPS.ClH/c1-25-17-23-31(24-18-25)40-32(36)34(37-33(38)26-19-21-27(35)22-20-26)39(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30;/h2-24H,1H3;1H/b34-32+;
InChIKeyOYODPVAPVMXQHM-FSTCSSKCSA-N
MW635.00 g/mol
LogP5.53
Rot. Bonds8

About [(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride

[(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride (PubChem CID 44657111) has the molecular formula C34H27Cl3NOPS and a molecular weight of 635.00 g/mol. Its IUPAC name is [(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride.

Molecular Properties

Compound Name[(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride
PubChem CID44657111
Molecular FormulaC34H27Cl3NOPS
Molecular Weight635.00 g/mol
Exact Mass633.06
IUPAC Name[(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride
SMILESCc1ccc(S/C(Cl)=C(\NC(=O)c2ccc(Cl)cc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C34H26Cl2NOPS.ClH/c1-25-17-23-31(24-18-25)40-32(36)34(37-33(38)26-19-21-27(35)22-20-26)39(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30;/h2-24H,1H3;1H/b34-32+;
InChIKeyOYODPVAPVMXQHM-FSTCSSKCSA-N
XLogP5.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.00
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-acetamido-2-chloro-2-(4-chlorophenyl)sulfanylethenyl]-triphenylphosphanium;hydrochloride
CID 126957815
[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride
CID 11964917
[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium
CID 54733099
[2-chloro-2-(2-methoxy-2-oxoethyl)sulfanyl-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium
CID 71951269
[(E)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-formamidoethenyl]-triphenylphosphanium
CID 45046560
[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid
CID 126958406
N-[2-chloro-1-diphenylphosphoryl-2-(4-methylphenyl)sulfanylethenyl]benzamide
CID 3438754
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
[(E)-1-acetamido-2-(4-chlorophenyl)sulfanyl-2-sulfanylethenyl]-triphenylphosphanium
CID 2830295
[1-[(4-methylbenzoyl)amino]-1-methylsulfanyl-3-oxo-3-phenylprop-1-en-2-yl]-triphenylphosphanium iodide
CID 42917227
[(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium
CID 11964770
[1-benzamido-2,2-bis(methylsulfanyl)ethenyl]-triphenylphosphanium
CID 3090277

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride?
The IUPAC name of [(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride (CID 44657111) is [(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride.
What is the SMILES notation for [(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride?
The canonical SMILES for [(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride is Cc1ccc(S/C(Cl)=C(\NC(=O)c2ccc(Cl)cc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-].
What is the InChIKey of [(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride?
The InChIKey is OYODPVAPVMXQHM-FSTCSSKCSA-N. The full InChI is InChI=1S/C34H26Cl2NOPS.ClH/c1-25-17-23-31(24-18-25)40-32(36)34(37-33(38)26-19-21-27(35)22-20-26)39(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30;/h2-24H,1H3;1H/b34-32+;.
What are the key properties of [(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride?
[(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride has a molecular weight of 635.00 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride is sourced from PubChem (CID 44657111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).