1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone

C18H13Cl3N2O3S — CID 159619820

IUPAC1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone
SMILESO=C(CS(=O)(=O)c1c(Cl)cccc1Cl)c1cn(Cc2ccccc2Cl)cn1
InChIInChI=1S/C18H13Cl3N2O3S/c19-13-5-2-1-4-12(13)8-23-9-16(22-11-23)17(24)10-27(25,26)18-14(20)6-3-7-15(18)21/h1-7,9,11H,8,10H2
InChIKeyMNTDXZNNQNQAJY-UHFFFAOYSA-N
MW443.74 g/mol
LogP4.55
Rot. Bonds6

About 1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone

1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone (PubChem CID 159619820) has the molecular formula C18H13Cl3N2O3S and a molecular weight of 443.74 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone
PubChem CID159619820
Molecular FormulaC18H13Cl3N2O3S
Molecular Weight443.74 g/mol
Exact Mass441.97
IUPAC Name1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone
SMILESO=C(CS(=O)(=O)c1c(Cl)cccc1Cl)c1cn(Cc2ccccc2Cl)cn1
InChIInChI=1S/C18H13Cl3N2O3S/c19-13-5-2-1-4-12(13)8-23-9-16(22-11-23)17(24)10-27(25,26)18-14(20)6-3-7-15(18)21/h1-7,9,11H,8,10H2
InChIKeyMNTDXZNNQNQAJY-UHFFFAOYSA-N
XLogP4.55
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.74
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone
CID 142342439
N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 139452892
1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone
CID 64635956
1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
CID 2988840
1-(2,6-dichlorophenyl)-N-(2,6-dichlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453158
1-[(2,3-dichlorophenyl)methyl]-4-ethynylimidazole
CID 175310156
2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone
CID 107976486
N,1-bis[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 42594376
methyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-4-carboxylate
CID 56739922
N-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 70943815
1-[2-[(2,6-dichlorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496698
2-(2-chlorophenyl)acetic acid;sulfuric acid
CID 158269272

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone (CID 159619820) is 1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone is O=C(CS(=O)(=O)c1c(Cl)cccc1Cl)c1cn(Cc2ccccc2Cl)cn1.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone?
The InChIKey is MNTDXZNNQNQAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O3S/c19-13-5-2-1-4-12(13)8-23-9-16(22-11-23)17(24)10-27(25,26)18-14(20)6-3-7-15(18)21/h1-7,9,11H,8,10H2.
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone?
1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone has a molecular weight of 443.74 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone is sourced from PubChem (CID 159619820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).