N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide

C26H16Cl4N2O2S2 — CID 6483556

IUPACN-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H16Cl4N2O2S2/c27-15-9-11-21(19(29)13-15)31-25(33)17-5-1-3-7-23(17)35-36-24-8-4-2-6-18(24)26(34)32-22-12-10-16(28)14-20(22)30/h1-14H,(H,31,33)(H,32,34)
InChIKeyKSOXWUWHJAZNDP-UHFFFAOYSA-N
MW594.37 g/mol
LogP9.60
Rot. Bonds7

About N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide

N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide (PubChem CID 6483556) has the molecular formula C26H16Cl4N2O2S2 and a molecular weight of 594.37 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide
PubChem CID6483556
Molecular FormulaC26H16Cl4N2O2S2
Molecular Weight594.37 g/mol
Exact Mass591.94
IUPAC NameN-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H16Cl4N2O2S2/c27-15-9-11-21(19(29)13-15)31-25(33)17-5-1-3-7-23(17)35-36-24-8-4-2-6-18(24)26(34)32-22-12-10-16(28)14-20(22)30/h1-14H,(H,31,33)(H,32,34)
InChIKeyKSOXWUWHJAZNDP-UHFFFAOYSA-N
XLogP9.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.37
LogP ≤ 59.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224609
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide
CID 848431
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 113255485
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide
CID 79217596
N-(2,4-dichlorophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 55335321
N-(2,5-dichlorophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 55604341
N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 47026174
N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954259
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide (CID 6483556) is N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide is O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide?
The InChIKey is KSOXWUWHJAZNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl4N2O2S2/c27-15-9-11-21(19(29)13-15)31-25(33)17-5-1-3-7-23(17)35-36-24-8-4-2-6-18(24)26(34)32-22-12-10-16(28)14-20(22)30/h1-14H,(H,31,33)(H,32,34).
What are the key properties of N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide?
N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide has a molecular weight of 594.37 g/mol, XLogP of 9.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide is sourced from PubChem (CID 6483556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).