N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide

C18H14Cl3N3O4S — CID 155116595

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C18H14Cl3N3O4S/c1-24-9-14(22-17(24)11-4-3-5-13(20)16(11)21)18(25)23-29(26,27)15-8-10(28-2)6-7-12(15)19/h3-9H,1-2H3,(H,23,25)
InChIKeyOOZZUVIYRWBDLW-UHFFFAOYSA-N
MW474.75 g/mol
LogP4.17
Rot. Bonds5

About N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide

N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide (PubChem CID 155116595) has the molecular formula C18H14Cl3N3O4S and a molecular weight of 474.75 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
PubChem CID155116595
Molecular FormulaC18H14Cl3N3O4S
Molecular Weight474.75 g/mol
Exact Mass472.98
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C18H14Cl3N3O4S/c1-24-9-14(22-17(24)11-4-3-5-13(20)16(11)21)18(25)23-29(26,27)15-8-10(28-2)6-7-12(15)19/h3-9H,1-2H3,(H,23,25)
InChIKeyOOZZUVIYRWBDLW-UHFFFAOYSA-N
XLogP4.17
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.75
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 130437691
2-(2,3-dichlorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
CID 130437812
2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide
CID 152842079
N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide
CID 146335135
N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide
CID 155116421
2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116564
N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116240
2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116327
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide
CID 139453142
N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116486
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453144
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)imidazole-4-carboxamide
CID 139453200

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide (CID 155116595) is N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3cccc(Cl)c3Cl)n2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is OOZZUVIYRWBDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3N3O4S/c1-24-9-14(22-17(24)11-4-3-5-13(20)16(11)21)18(25)23-29(26,27)15-8-10(28-2)6-7-12(15)19/h3-9H,1-2H3,(H,23,25).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 474.75 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).