1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;methane;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane

C55H50Cl6N6O6P2S8 — CID 158376346

About 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;methane;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane

1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;methane;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane (PubChem CID 158376346) has the molecular formula C55H50Cl6N6O6P2S8 and a molecular weight of 1422.24 g/mol. Its IUPAC name is 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;methane;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane.

Molecular Properties

• Compound Name: 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;methane;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane
• PubChem CID: 158376346
• Molecular Formula: C55H50Cl6N6O6P2S8
• Molecular Weight: 1422.24 g/mol
• Exact Mass: 1417.92
• IUPAC Name: 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;methane;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane
• SMILES: C.CC(C)(CO)NC(=O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(-c2c(Cl)cccc2Cl)n1.CC1(C)CSC(c2cn(-c3ccc(-c4cccc(S(C)(=O)=O)c4)cc3Cl)c(-c3c(Cl)cccc3Cl)n2)=N1.S=PP=S=S=S=S
• InChI: InChI=1S/C27H24Cl3N3O4S.C27H22Cl3N3O2S2.CH4.P2S5/c1-27(2,15-34)32-26(35)22-14-33(25(31-22)24-19(28)8-5-9-20(24)29)23-11-10-17(13-21(23)30)16-6-4-7-18(12-16)38(3,36)37;1-27(2)15-36-26(32-27)22-14-33(25(31-22)24-19(28)8-5-9-20(24)29)23-11-10-17(13-21(23)30)16-6-4-7-18(12-16)37(3,34)35;;3-1-2-5-7-6-4/h4-14,34H,15H2,1-3H3,(H,32,35);4-14H,15H2,1-3H3;1H4
• InChIKey: GVGBOLXXRHDBGT-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 165.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1422.24
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;methane;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane?

The IUPAC name of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;methane;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane (CID 158376346) is 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;methane;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane.

What is the SMILES notation for 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;methane;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane?

The canonical SMILES for 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;methane;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane is C.CC(C)(CO)NC(=O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(-c2c(Cl)cccc2Cl)n1.CC1(C)CSC(c2cn(-c3ccc(-c4cccc(S(C)(=O)=O)c4)cc3Cl)c(-c3c(Cl)cccc3Cl)n2)=N1.S=PP=S=S=S=S.

What is the InChIKey of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;methane;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane?

The InChIKey is GVGBOLXXRHDBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl3N3O4S.C27H22Cl3N3O2S2.CH4.P2S5/c1-27(2,15-34)32-26(35)22-14-33(25(31-22)24-19(28)8-5-9-20(24)29)23-11-10-17(13-21(23)30)16-6-4-7-18(12-16)38(3,36)37;1-27(2)15-36-26(32-27)22-14-33(25(31-22)24-19(28)8-5-9-20(24)29)23-11-10-17(13-21(23)30)16-6-4-7-18(12-16)37(3,34)35;;3-1-2-5-7-6-4/h4-14,34H,15H2,1-3H3,(H,32,35);4-14H,15H2,1-3H3;1H4;.

What are the key properties of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;methane;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane?

1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;methane;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane has a molecular weight of 1422.24 g/mol, XLogP of 16.26, 13 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;methane;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane is sourced from PubChem (CID 158376346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).