N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide

C18H14ClF2N3O3S2 — CID 139453172

IUPACN-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide
SMILESCSc1cccc(Cl)c1S(=O)(=O)NC(=O)c1cn(-c2cc(F)cc(F)c2)c(C)n1
InChIInChI=1S/C18H14ClF2N3O3S2/c1-10-22-15(9-24(10)13-7-11(20)6-12(21)8-13)18(25)23-29(26,27)17-14(19)4-3-5-16(17)28-2/h3-9H,1-2H3,(H,23,25)
InChIKeyFDNXNBJYIIOWKB-UHFFFAOYSA-N
MW457.91 g/mol
LogP3.95
Rot. Bonds5

About N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide

N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide (PubChem CID 139453172) has the molecular formula C18H14ClF2N3O3S2 and a molecular weight of 457.91 g/mol. Its IUPAC name is N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide
PubChem CID139453172
Molecular FormulaC18H14ClF2N3O3S2
Molecular Weight457.91 g/mol
Exact Mass457.01
IUPAC NameN-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide
SMILESCSc1cccc(Cl)c1S(=O)(=O)NC(=O)c1cn(-c2cc(F)cc(F)c2)c(C)n1
InChIInChI=1S/C18H14ClF2N3O3S2/c1-10-22-15(9-24(10)13-7-11(20)6-12(21)8-13)18(25)23-29(26,27)17-14(19)4-3-5-16(17)28-2/h3-9H,1-2H3,(H,23,25)
InChIKeyFDNXNBJYIIOWKB-UHFFFAOYSA-N
XLogP3.95
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116121
1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
CID 139453176
N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 147083151
N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide
CID 139453081
1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde
CID 142342367
N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 147509340
N-(3,4-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 148864284
1-(2,6-dichlorophenyl)-N-(2,6-dichlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453158
2-(2,6-difluorophenyl)-1-methyl-N-(2,4,6-trimethylphenyl)sulfonylimidazole-4-carboxamide
CID 155116512
N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116486
2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid
CID 94946644
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide
CID 139453142

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide (CID 139453172) is N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide is CSc1cccc(Cl)c1S(=O)(=O)NC(=O)c1cn(-c2cc(F)cc(F)c2)c(C)n1.
What is the InChIKey of N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide?
The InChIKey is FDNXNBJYIIOWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O3S2/c1-10-22-15(9-24(10)13-7-11(20)6-12(21)8-13)18(25)23-29(26,27)17-14(19)4-3-5-16(17)28-2/h3-9H,1-2H3,(H,23,25).
What are the key properties of N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide?
N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide has a molecular weight of 457.91 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 139453172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).