N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide

C19H14ClF4N3O4S — CID 139453131

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(C(F)(F)F)c3)c(C)n2)c1
InChIInChI=1S/C19H14ClF4N3O4S/c1-10-25-16(9-27(10)13-6-11(19(22,23)24)5-12(21)7-13)18(28)26-32(29,30)17-8-14(31-2)3-4-15(17)20/h3-9H,1-2H3,(H,26,28)
InChIKeyTVKRPHMKPMROII-UHFFFAOYSA-N
MW491.85 g/mol
LogP4.12
Rot. Bonds5

About N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide (PubChem CID 139453131) has the molecular formula C19H14ClF4N3O4S and a molecular weight of 491.85 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide
PubChem CID139453131
Molecular FormulaC19H14ClF4N3O4S
Molecular Weight491.85 g/mol
Exact Mass491.03
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(C(F)(F)F)c3)c(C)n2)c1
InChIInChI=1S/C19H14ClF4N3O4S/c1-10-25-16(9-27(10)13-6-11(19(22,23)24)5-12(21)7-13)18(28)26-32(29,30)17-8-14(31-2)3-4-15(17)20/h3-9H,1-2H3,(H,26,28)
InChIKeyTVKRPHMKPMROII-UHFFFAOYSA-N
XLogP4.12
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.85
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide (CID 139453131) is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(C(F)(F)F)c3)c(C)n2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide?
The InChIKey is TVKRPHMKPMROII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF4N3O4S/c1-10-25-16(9-27(10)13-6-11(19(22,23)24)5-12(21)7-13)18(28)26-32(29,30)17-8-14(31-2)3-4-15(17)20/h3-9H,1-2H3,(H,26,28).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide has a molecular weight of 491.85 g/mol, XLogP of 4.12, 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-fluoro-5-(trifluoromethyl)phenyl]-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 139453131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).