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

C54H48Cl4N6O6P2S8 — CID 157475072

IUPAC1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane
SMILESCC(C)(CO)NC(=O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(-c2ccccc2Cl)n1.CC1(C)CSC(c2cn(-c3ccc(-c4cccc(S(C)(=O)=O)c4)cc3Cl)c(-c3ccccc3Cl)n2)=N1.S=PP=S=S=S=S
InChIInChI=1S/C27H25Cl2N3O4S.C27H23Cl2N3O2S2.P2S5/c1-27(2,16-33)31-26(34)23-15-32(25(30-23)20-9-4-5-10-21(20)28)24-12-11-18(14-22(24)29)17-7-6-8-19(13-17)37(3,35)36;1-27(2)16-35-26(31-27)23-15-32(25(30-23)20-9-4-5-10-21(20)28)24-12-11-18(14-22(24)29)17-7-6-8-19(13-17)36(3,33)34;3-1-2-5-7-6-4/h4-15,33H,16H2,1-3H3,(H,31,34);4-15H,16H2,1-3H3;
InChIKeyBVMKTIRFIUMJHK-UHFFFAOYSA-N
MW1337.31 g/mol
LogP14.32
Rot. Bonds13

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

1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane (PubChem CID 157475072) has the molecular formula C54H48Cl4N6O6P2S8 and a molecular weight of 1337.31 g/mol. Its IUPAC name is 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane.

Molecular Properties

Compound Name1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane
PubChem CID157475072
Molecular FormulaC54H48Cl4N6O6P2S8
Molecular Weight1337.31 g/mol
Exact Mass1333.96
IUPAC Name1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane
SMILESCC(C)(CO)NC(=O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(-c2ccccc2Cl)n1.CC1(C)CSC(c2cn(-c3ccc(-c4cccc(S(C)(=O)=O)c4)cc3Cl)c(-c3ccccc3Cl)n2)=N1.S=PP=S=S=S=S
InChIInChI=1S/C27H25Cl2N3O4S.C27H23Cl2N3O2S2.P2S5/c1-27(2,16-33)31-26(34)23-15-32(25(30-23)20-9-4-5-10-21(20)28)24-12-11-18(14-22(24)29)17-7-6-8-19(13-17)37(3,35)36;1-27(2)16-35-26(31-27)23-15-32(25(30-23)20-9-4-5-10-21(20)28)24-12-11-18(14-22(24)29)17-7-6-8-19(13-17)36(3,33)34;3-1-2-5-7-6-4/h4-15,33H,16H2,1-3H3,(H,31,34);4-15H,16H2,1-3H3;
InChIKeyBVMKTIRFIUMJHK-UHFFFAOYSA-N
XLogP14.32
TPSA165.61 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001337.31
LogP ≤ 514.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane?
The IUPAC name of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane (CID 157475072) is 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane.
What is the SMILES notation for 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane?
The canonical SMILES for 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane is CC(C)(CO)NC(=O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(-c2ccccc2Cl)n1.CC1(C)CSC(c2cn(-c3ccc(-c4cccc(S(C)(=O)=O)c4)cc3Cl)c(-c3ccccc3Cl)n2)=N1.S=PP=S=S=S=S.
What is the InChIKey of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane?
The InChIKey is BVMKTIRFIUMJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N3O4S.C27H23Cl2N3O2S2.P2S5/c1-27(2,16-33)31-26(34)23-15-32(25(30-23)20-9-4-5-10-21(20)28)24-12-11-18(14-22(24)29)17-7-6-8-19(13-17)37(3,35)36;1-27(2)16-35-26(31-27)23-15-32(25(30-23)20-9-4-5-10-21(20)28)24-12-11-18(14-22(24)29)17-7-6-8-19(13-17)36(3,33)34;3-1-2-5-7-6-4/h4-15,33H,16H2,1-3H3,(H,31,34);4-15H,16H2,1-3H3;.
What are the key properties of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane?
1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane has a molecular weight of 1337.31 g/mol, XLogP of 14.32, 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-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-thiazole;[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-thiophosphorosophosphane is sourced from PubChem (CID 157475072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).