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

C20H18Cl3N3O4S — CID 139453081

IUPACN-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(=O)NS(=O)(=O)c2cc(OC(C)C)ccc2Cl)cn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H18Cl3N3O4S/c1-11(2)30-16-4-5-17(23)19(9-16)31(28,29)25-20(27)18-10-26(12(3)24-18)15-7-13(21)6-14(22)8-15/h4-11H,1-3H3,(H,25,27)
InChIKeyKKACVPJMZOMJQH-UHFFFAOYSA-N
MW502.81 g/mol
LogP5.05
Rot. Bonds6

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

N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide (PubChem CID 139453081) has the molecular formula C20H18Cl3N3O4S and a molecular weight of 502.81 g/mol. Its IUPAC name is N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide
PubChem CID139453081
Molecular FormulaC20H18Cl3N3O4S
Molecular Weight502.81 g/mol
Exact Mass501.01
IUPAC NameN-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(=O)NS(=O)(=O)c2cc(OC(C)C)ccc2Cl)cn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H18Cl3N3O4S/c1-11(2)30-16-4-5-17(23)19(9-16)31(28,29)25-20(27)18-10-26(12(3)24-18)15-7-13(21)6-14(22)8-15/h4-11H,1-3H3,(H,25,27)
InChIKeyKKACVPJMZOMJQH-UHFFFAOYSA-N
XLogP5.05
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 ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide
CID 139453142
1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
CID 139453176
N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide
CID 139453172
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116595
2,5-dichloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
CID 139453175
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
CID 139453275
1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde
CID 142342463
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)imidazole-4-carboxamide
CID 139453200
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
CID 139453250
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
2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide
CID 152842079

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide (CID 139453081) is N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide is Cc1nc(C(=O)NS(=O)(=O)c2cc(OC(C)C)ccc2Cl)cn1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide?
The InChIKey is KKACVPJMZOMJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl3N3O4S/c1-11(2)30-16-4-5-17(23)19(9-16)31(28,29)25-20(27)18-10-26(12(3)24-18)15-7-13(21)6-14(22)8-15/h4-11H,1-3H3,(H,25,27).
What are the key properties of N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide?
N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide has a molecular weight of 502.81 g/mol, XLogP of 5.05, 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-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 139453081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).