N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide

C22H17F3N4O6S2 — CID 90958761

IUPACN-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide
SMILESO=c1n(Cc2ccnc(NS(=O)(=O)c3ccccc3)c2)cc(O)n1-c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C22H17F3N4O6S2/c23-22(24,25)36(32,33)17-8-6-16(7-9-17)29-20(30)14-28(21(29)31)13-15-10-11-26-19(12-15)27-37(34,35)18-4-2-1-3-5-18/h1-12,14,30H,13H2,(H,26,27)
InChIKeyXYIUDYDEZJLFAM-UHFFFAOYSA-N
MW554.53 g/mol
LogP2.88
Rot. Bonds7

About N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide

N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide (PubChem CID 90958761) has the molecular formula C22H17F3N4O6S2 and a molecular weight of 554.53 g/mol. Its IUPAC name is N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide
PubChem CID90958761
Molecular FormulaC22H17F3N4O6S2
Molecular Weight554.53 g/mol
Exact Mass554.05
IUPAC NameN-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide
SMILESO=c1n(Cc2ccnc(NS(=O)(=O)c3ccccc3)c2)cc(O)n1-c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C22H17F3N4O6S2/c23-22(24,25)36(32,33)17-8-6-16(7-9-17)29-20(30)14-28(21(29)31)13-15-10-11-26-19(12-15)27-37(34,35)18-4-2-1-3-5-18/h1-12,14,30H,13H2,(H,26,27)
InChIKeyXYIUDYDEZJLFAM-UHFFFAOYSA-N
XLogP2.88
TPSA140.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.53
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

4-hydroxy-1-[[2-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 90878282
4-hydroxy-1-[(2-pyridin-2-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91079111
propan-2-yl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91385526
4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-(sulfamoylamino)pyridine
CID 91185410
N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 91578507
4-hydroxy-1-[[2-(methylamino)quinolin-4-yl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 90968606
4-hydroxy-1-[(5-methylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91188108
N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide
CID 91282632
phenyl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 90897394
1-[(3-anilino-4-pyridinyl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91381967
1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91252167
4-hydroxy-5-methyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91309793

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide (CID 90958761) is N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide is O=c1n(Cc2ccnc(NS(=O)(=O)c3ccccc3)c2)cc(O)n1-c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide?
The InChIKey is XYIUDYDEZJLFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O6S2/c23-22(24,25)36(32,33)17-8-6-16(7-9-17)29-20(30)14-28(21(29)31)13-15-10-11-26-19(12-15)27-37(34,35)18-4-2-1-3-5-18/h1-12,14,30H,13H2,(H,26,27).
What are the key properties of N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide?
N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 554.53 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 90958761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).