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

C18H13Cl3FN3O4S — CID 139451164

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(C)n(-c3cc(Cl)cc(Cl)c3)c2F)c1
InChIInChI=1S/C18H13Cl3FN3O4S/c1-9-23-16(17(22)25(9)12-6-10(19)5-11(20)7-12)18(26)24-30(27,28)15-8-13(29-2)3-4-14(15)21/h3-8H,1-2H3,(H,24,26)
InChIKeyOUWCLWCDJIAGPP-UHFFFAOYSA-N
MW492.74 g/mol
LogP4.41
Rot. Bonds5

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

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide (PubChem CID 139451164) has the molecular formula C18H13Cl3FN3O4S and a molecular weight of 492.74 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide
PubChem CID139451164
Molecular FormulaC18H13Cl3FN3O4S
Molecular Weight492.74 g/mol
Exact Mass490.97
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(C)n(-c3cc(Cl)cc(Cl)c3)c2F)c1
InChIInChI=1S/C18H13Cl3FN3O4S/c1-9-23-16(17(22)25(9)12-6-10(19)5-11(20)7-12)18(26)24-30(27,28)15-8-13(29-2)3-4-14(15)21/h3-8H,1-2H3,(H,24,26)
InChIKeyOUWCLWCDJIAGPP-UHFFFAOYSA-N
XLogP4.41
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.74
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 130437700
2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide
CID 130437896
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 139451192
2,5-dichloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 139452887
N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide
CID 139452935
1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
CID 139452989
1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide
CID 139453010
1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide
CID 139453027
1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide
CID 139453030
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453052
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,6-difluorophenyl)-2-methylimidazole-4-carboxamide
CID 139453079
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453082

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide (CID 139451164) is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(C)n(-c3cc(Cl)cc(Cl)c3)c2F)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide?
The InChIKey is OUWCLWCDJIAGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3FN3O4S/c1-9-23-16(17(22)25(9)12-6-10(19)5-11(20)7-12)18(26)24-30(27,28)15-8-13(29-2)3-4-14(15)21/h3-8H,1-2H3,(H,24,26).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide has a molecular weight of 492.74 g/mol, XLogP of 4.41, 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-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 139451164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).