N-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide

C24H20ClN3O5S2 — CID 46267424

IUPACN-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide
SMILESCc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClN3O5S2/c1-16-7-13-20(14-8-16)35(32,33)24-23(27-22(28-24)17-5-3-2-4-6-17)34(30,31)15-21(29)26-19-11-9-18(25)10-12-19/h2-14H,15H2,1H3,(H,26,29)(H,27,28)
InChIKeyWUOBOKFCIAHMLO-UHFFFAOYSA-N
MW530.03 g/mol
LogP4.28
Rot. Bonds7

About N-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide

N-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide (PubChem CID 46267424) has the molecular formula C24H20ClN3O5S2 and a molecular weight of 530.03 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide
PubChem CID46267424
Molecular FormulaC24H20ClN3O5S2
Molecular Weight530.03 g/mol
Exact Mass529.05
IUPAC NameN-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide
SMILESCc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClN3O5S2/c1-16-7-13-20(14-8-16)35(32,33)24-23(27-22(28-24)17-5-3-2-4-6-17)34(30,31)15-21(29)26-19-11-9-18(25)10-12-19/h2-14H,15H2,1H3,(H,26,29)(H,27,28)
InChIKeyWUOBOKFCIAHMLO-UHFFFAOYSA-N
XLogP4.28
TPSA126.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.03
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide
CID 20896132
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 22584796
5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole
CID 138392121
2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7544010
2-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 27449078
5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole
CID 156743628
N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide
CID 46273821
2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide
CID 7544014
2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide
CID 3937721
2-(4-chlorophenyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7543926
[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid
CID 18450250
2-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17309488

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide (CID 46267424) is N-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide is Cc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide?
The InChIKey is WUOBOKFCIAHMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O5S2/c1-16-7-13-20(14-8-16)35(32,33)24-23(27-22(28-24)17-5-3-2-4-6-17)34(30,31)15-21(29)26-19-11-9-18(25)10-12-19/h2-14H,15H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide?
N-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide has a molecular weight of 530.03 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide is sourced from PubChem (CID 46267424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).