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

C18H15Cl2N3O4S — CID 155116327

IUPAC2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H15Cl2N3O4S/c1-23-10-14(21-17(23)11-7-8-12(19)13(20)9-11)18(24)22-28(25,26)16-6-4-3-5-15(16)27-2/h3-10H,1-2H3,(H,22,24)
InChIKeyKCVWBDDWBVCZQH-UHFFFAOYSA-N
MW440.31 g/mol
LogP3.52
Rot. Bonds5

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

2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide (PubChem CID 155116327) has the molecular formula C18H15Cl2N3O4S and a molecular weight of 440.31 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
PubChem CID155116327
Molecular FormulaC18H15Cl2N3O4S
Molecular Weight440.31 g/mol
Exact Mass439.02
IUPAC Name2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H15Cl2N3O4S/c1-23-10-14(21-17(23)11-7-8-12(19)13(20)9-11)18(24)22-28(25,26)16-6-4-3-5-15(16)27-2/h3-10H,1-2H3,(H,22,24)
InChIKeyKCVWBDDWBVCZQH-UHFFFAOYSA-N
XLogP3.52
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 130437691
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116595
2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116564
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-(2,3-dichlorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
CID 130437812
1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide
CID 155116563
2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide
CID 152842079
N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116240
1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
CID 155116183
2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116524
N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 147083151

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide (CID 155116327) is 2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide is COc1ccccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The InChIKey is KCVWBDDWBVCZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O4S/c1-23-10-14(21-17(23)11-7-8-12(19)13(20)9-11)18(24)22-28(25,26)16-6-4-3-5-15(16)27-2/h3-10H,1-2H3,(H,22,24).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide has a molecular weight of 440.31 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).