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

C20H18Cl3N3O4S — CID 139453142

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(Cl)cc(Cl)c3)c(C(C)C)n2)c1
InChIInChI=1S/C20H18Cl3N3O4S/c1-11(2)19-24-17(10-26(19)14-7-12(21)6-13(22)8-14)20(27)25-31(28,29)18-9-15(30-3)4-5-16(18)23/h4-11H,1-3H3,(H,25,27)
InChIKeySOXVGPWGSWIRBN-UHFFFAOYSA-N
MW502.81 g/mol
LogP5.08
Rot. Bonds6

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

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide (PubChem CID 139453142) has the molecular formula C20H18Cl3N3O4S and a molecular weight of 502.81 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide
PubChem CID139453142
Molecular FormulaC20H18Cl3N3O4S
Molecular Weight502.81 g/mol
Exact Mass501.01
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(Cl)cc(Cl)c3)c(C(C)C)n2)c1
InChIInChI=1S/C20H18Cl3N3O4S/c1-11(2)19-24-17(10-26(19)14-7-12(21)6-13(22)8-14)20(27)25-31(28,29)18-9-15(30-3)4-5-16(18)23/h4-11H,1-3H3,(H,25,27)
InChIKeySOXVGPWGSWIRBN-UHFFFAOYSA-N
XLogP5.08
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.81
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide
CID 139453081
1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde
CID 142342463
1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
CID 139453176
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116595
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)imidazole-4-carboxamide
CID 139453200
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
CID 139453275
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453144
N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 139453023
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
CID 139453250
N-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide
CID 146335150
2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 130437691
1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde
CID 142342214

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide (CID 139453142) is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(Cl)cc(Cl)c3)c(C(C)C)n2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide?
The InChIKey is SOXVGPWGSWIRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl3N3O4S/c1-11(2)19-24-17(10-26(19)14-7-12(21)6-13(22)8-14)20(27)25-31(28,29)18-9-15(30-3)4-5-16(18)23/h4-11H,1-3H3,(H,25,27).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide has a molecular weight of 502.81 g/mol, XLogP of 5.08, 6 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-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 139453142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).