4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide

C17H14F3N3O3S — CID 28595774

IUPAC4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)NC2=O)cc1
InChIInChI=1S/C17H14F3N3O3S/c1-11-7-9-13(10-8-11)27(25,26)23-16(17(18,19)20)15(24)21-14(22-16)12-5-3-2-4-6-12/h2-10,23H,1H3,(H,21,22,24)/t16-/m1/s1
InChIKeyJBHAFDMQSJFESM-MRXNPFEDSA-N
MW397.38 g/mol
LogP2.11
Rot. Bonds4

About 4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide

4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide (PubChem CID 28595774) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is 4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
PubChem CID28595774
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC Name4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)NC2=O)cc1
InChIInChI=1S/C17H14F3N3O3S/c1-11-7-9-13(10-8-11)27(25,26)23-16(17(18,19)20)15(24)21-14(22-16)12-5-3-2-4-6-12/h2-10,23H,1H3,(H,21,22,24)/t16-/m1/s1
InChIKeyJBHAFDMQSJFESM-MRXNPFEDSA-N
XLogP2.11
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide (CID 28595774) is 4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)NC2=O)cc1.
What is the InChIKey of 4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide?
The InChIKey is JBHAFDMQSJFESM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c1-11-7-9-13(10-8-11)27(25,26)23-16(17(18,19)20)15(24)21-14(22-16)12-5-3-2-4-6-12/h2-10,23H,1H3,(H,21,22,24)/t16-/m1/s1.
What are the key properties of 4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide?
4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide has a molecular weight of 397.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4R)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 28595774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).