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

C19H15ClF3N3O4S — CID 139453082

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(C)cc(C(F)(F)F)c3)cn2)c1
InChIInChI=1S/C19H15ClF3N3O4S/c1-11-5-12(19(21,22)23)7-13(6-11)26-9-16(24-10-26)18(27)25-31(28,29)17-8-14(30-2)3-4-15(17)20/h3-10H,1-2H3,(H,25,27)
InChIKeyXURWMULPHILRJD-UHFFFAOYSA-N
MW473.86 g/mol
LogP3.98
Rot. Bonds5

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

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 139453082) has the molecular formula C19H15ClF3N3O4S and a molecular weight of 473.86 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID139453082
Molecular FormulaC19H15ClF3N3O4S
Molecular Weight473.86 g/mol
Exact Mass473.04
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(C)cc(C(F)(F)F)c3)cn2)c1
InChIInChI=1S/C19H15ClF3N3O4S/c1-11-5-12(19(21,22)23)7-13(6-11)26-9-16(24-10-26)18(27)25-31(28,29)17-8-14(30-2)3-4-15(17)20/h3-10H,1-2H3,(H,25,27)
InChIKeyXURWMULPHILRJD-UHFFFAOYSA-N
XLogP3.98
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.86
LogP ≤ 53.98
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-methyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 139453082) is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(C)cc(C(F)(F)F)c3)cn2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is XURWMULPHILRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O4S/c1-11-5-12(19(21,22)23)7-13(6-11)26-9-16(24-10-26)18(27)25-31(28,29)17-8-14(30-2)3-4-15(17)20/h3-10H,1-2H3,(H,25,27).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 473.86 g/mol, XLogP of 3.98, 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-methyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 139453082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).