N-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide

C19H15ClF3N3O3S — CID 130437687

IUPACN-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
SMILESCCc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C19H15ClF3N3O3S/c1-2-14-16(18(27)26-30(28,29)15-9-4-3-8-13(15)20)25-17(24-14)11-6-5-7-12(10-11)19(21,22)23/h3-10H,2H2,1H3,(H,24,25)(H,26,27)
InChIKeyAAVNSULBIRCAFC-UHFFFAOYSA-N
MW457.86 g/mol
LogP4.43
Rot. Bonds5

About N-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide

N-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide (PubChem CID 130437687) has the molecular formula C19H15ClF3N3O3S and a molecular weight of 457.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
PubChem CID130437687
Molecular FormulaC19H15ClF3N3O3S
Molecular Weight457.86 g/mol
Exact Mass457.05
IUPAC NameN-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
SMILESCCc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C19H15ClF3N3O3S/c1-2-14-16(18(27)26-30(28,29)15-9-4-3-8-13(15)20)25-17(24-14)11-6-5-7-12(10-11)19(21,22)23/h3-10H,2H2,1H3,(H,24,25)(H,26,27)
InChIKeyAAVNSULBIRCAFC-UHFFFAOYSA-N
XLogP4.43
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.86
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide (CID 130437687) is N-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide is CCc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide?
The InChIKey is AAVNSULBIRCAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O3S/c1-2-14-16(18(27)26-30(28,29)15-9-4-3-8-13(15)20)25-17(24-14)11-6-5-7-12(10-11)19(21,22)23/h3-10H,2H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide?
N-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide has a molecular weight of 457.86 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 130437687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).