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

C19H17Cl2N3O5S — CID 130437691

IUPAC2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C19H17Cl2N3O5S/c1-24-10-14(22-18(24)12-5-4-6-13(20)17(12)21)19(25)23-30(26,27)16-9-11(28-2)7-8-15(16)29-3/h4-10H,1-3H3,(H,23,25)
InChIKeyCKSIXJCDRIGMLT-UHFFFAOYSA-N
MW470.33 g/mol
LogP3.53
Rot. Bonds6

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

2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide (PubChem CID 130437691) has the molecular formula C19H17Cl2N3O5S and a molecular weight of 470.33 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
PubChem CID130437691
Molecular FormulaC19H17Cl2N3O5S
Molecular Weight470.33 g/mol
Exact Mass469.03
IUPAC Name2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C19H17Cl2N3O5S/c1-24-10-14(22-18(24)12-5-4-6-13(20)17(12)21)19(25)23-30(26,27)16-9-11(28-2)7-8-15(16)29-3/h4-10H,1-3H3,(H,23,25)
InChIKeyCKSIXJCDRIGMLT-UHFFFAOYSA-N
XLogP3.53
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116595
2-(2,3-dichlorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
CID 130437812
2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116327
N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide
CID 146335135
N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide
CID 18629743
2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116564
N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide
CID 155116421
N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116240
2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide
CID 152842079
N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 147083151
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide
CID 139453142
N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
CID 47347665

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide (CID 130437691) is 2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide is COc1ccc(OC)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3cccc(Cl)c3Cl)n2)c1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The InChIKey is CKSIXJCDRIGMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O5S/c1-24-10-14(22-18(24)12-5-4-6-13(20)17(12)21)19(25)23-30(26,27)16-9-11(28-2)7-8-15(16)29-3/h4-10H,1-3H3,(H,23,25).
What are the key properties of 2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide has a molecular weight of 470.33 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 130437691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).