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

C18H14F3N3O4S — CID 139453176

IUPAC1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
SMILESCOc1ccc(F)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(F)c3)c(C)n2)c1
InChIInChI=1S/C18H14F3N3O4S/c1-10-22-16(9-24(10)13-6-11(19)5-12(20)7-13)18(25)23-29(26,27)17-8-14(28-2)3-4-15(17)21/h3-9H,1-2H3,(H,23,25)
InChIKeyFFXODCZPBDWSCC-UHFFFAOYSA-N
MW425.39 g/mol
LogP2.73
Rot. Bonds5

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

1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide (PubChem CID 139453176) has the molecular formula C18H14F3N3O4S and a molecular weight of 425.39 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
PubChem CID139453176
Molecular FormulaC18H14F3N3O4S
Molecular Weight425.39 g/mol
Exact Mass425.07
IUPAC Name1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
SMILESCOc1ccc(F)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(F)c3)c(C)n2)c1
InChIInChI=1S/C18H14F3N3O4S/c1-10-22-16(9-24(10)13-6-11(19)5-12(20)7-13)18(25)23-29(26,27)17-8-14(28-2)3-4-15(17)21/h3-9H,1-2H3,(H,23,25)
InChIKeyFFXODCZPBDWSCC-UHFFFAOYSA-N
XLogP2.73
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-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

N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide
CID 139453081
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide
CID 139453142
N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide
CID 139453172
N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide
CID 18629743
1-fluoro-4-methoxy-2-methylsulfonylbenzene
CID 69311916
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116595
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453144
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
CID 139453275
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)imidazole-4-carboxamide
CID 139453200
2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 130437691
1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
CID 155116183
N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide
CID 57001214

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide (CID 139453176) is 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide is COc1ccc(F)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(F)c3)c(C)n2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide?
The InChIKey is FFXODCZPBDWSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O4S/c1-10-22-16(9-24(10)13-6-11(19)5-12(20)7-13)18(25)23-29(26,27)17-8-14(28-2)3-4-15(17)21/h3-9H,1-2H3,(H,23,25).
What are the key properties of 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide?
1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide has a molecular weight of 425.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 139453176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).