N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide

C18H16F3N3O3S — CID 155342852

IUPACN-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(-c2ncc(C)[nH]2)c1
InChIInChI=1S/C18H16F3N3O3S/c1-11-10-23-17(24-11)15-9-14(28(25,26)22-2)6-7-16(15)27-13-5-3-4-12(8-13)18(19,20)21/h3-10,22H,1-2H3,(H,23,24)
InChIKeyHKSDTJNLLQUBCZ-UHFFFAOYSA-N
MW411.41 g/mol
LogP4.10
Rot. Bonds5

About N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide

N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide (PubChem CID 155342852) has the molecular formula C18H16F3N3O3S and a molecular weight of 411.41 g/mol. Its IUPAC name is N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
PubChem CID155342852
Molecular FormulaC18H16F3N3O3S
Molecular Weight411.41 g/mol
Exact Mass411.09
IUPAC NameN-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(-c2ncc(C)[nH]2)c1
InChIInChI=1S/C18H16F3N3O3S/c1-11-10-23-17(24-11)15-9-14(28(25,26)22-2)6-7-16(15)27-13-5-3-4-12(8-13)18(19,20)21/h3-10,22H,1-2H3,(H,23,24)
InChIKeyHKSDTJNLLQUBCZ-UHFFFAOYSA-N
XLogP4.10
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid
CID 155342907
5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
CID 155343062
3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164903500
3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
CID 158704833
3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164903509
N-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164903602
5-methyl-4-[3-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 155344405
3-cyano-N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 86292161
4-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)-2-[3-(trifluoromethyl)phenoxy]phenyl]-7-hydroxy-6-methylpyrrolo[2,3-b]pyridine
CID 146714086
3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide
CID 156538666
N-methyl-3-[(6R)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049373
N-methyl-3-[(6S)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049351

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide?
The IUPAC name of N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide (CID 155342852) is N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide?
The canonical SMILES for N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide is CNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(-c2ncc(C)[nH]2)c1.
What is the InChIKey of N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide?
The InChIKey is HKSDTJNLLQUBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3S/c1-11-10-23-17(24-11)15-9-14(28(25,26)22-2)6-7-16(15)27-13-5-3-4-12(8-13)18(19,20)21/h3-10,22H,1-2H3,(H,23,24).
What are the key properties of N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide?
N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide has a molecular weight of 411.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 155342852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).