N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide

C21H22F3N5O6S — CID 91607160

IUPACN-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide
SMILESCc1c(O)n(-c2ccc(OC(F)(F)F)cc2)c(=O)n1Cc1ccnc(NS(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H22F3N5O6S/c1-14-19(30)29(16-2-4-17(5-3-16)35-21(22,23)24)20(31)28(14)13-15-6-7-25-18(12-15)26-36(32,33)27-8-10-34-11-9-27/h2-7,12,30H,8-11,13H2,1H3,(H,25,26)
InChIKeyRTRQISYBSVPIRG-UHFFFAOYSA-N
MW529.50 g/mol
LogP1.98
Rot. Bonds7

About N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide

N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide (PubChem CID 91607160) has the molecular formula C21H22F3N5O6S and a molecular weight of 529.50 g/mol. Its IUPAC name is N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide
PubChem CID91607160
Molecular FormulaC21H22F3N5O6S
Molecular Weight529.50 g/mol
Exact Mass529.12
IUPAC NameN-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide
SMILESCc1c(O)n(-c2ccc(OC(F)(F)F)cc2)c(=O)n1Cc1ccnc(NS(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H22F3N5O6S/c1-14-19(30)29(16-2-4-17(5-3-16)35-21(22,23)24)20(31)28(14)13-15-6-7-25-18(12-15)26-36(32,33)27-8-10-34-11-9-27/h2-7,12,30H,8-11,13H2,1H3,(H,25,26)
InChIKeyRTRQISYBSVPIRG-UHFFFAOYSA-N
XLogP1.98
TPSA127.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.50
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 90901020
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide
CID 90879070
propan-2-yl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91303063
ethyl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 90935599
1-[[2-(aminomethyl)-4-pyridinyl]methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91536112
4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide
CID 91511444
2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine
CID 91185920
4-hydroxy-5-methyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91309793
4-hydroxy-5-methyl-1-[[2-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91035699
4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide
CID 91426433
1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91601206
4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 90928258

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide?
The IUPAC name of N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide (CID 91607160) is N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide is Cc1c(O)n(-c2ccc(OC(F)(F)F)cc2)c(=O)n1Cc1ccnc(NS(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide?
The InChIKey is RTRQISYBSVPIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O6S/c1-14-19(30)29(16-2-4-17(5-3-16)35-21(22,23)24)20(31)28(14)13-15-6-7-25-18(12-15)26-36(32,33)27-8-10-34-11-9-27/h2-7,12,30H,8-11,13H2,1H3,(H,25,26).
What are the key properties of N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide?
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide has a molecular weight of 529.50 g/mol, XLogP of 1.98, 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-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide is sourced from PubChem (CID 91607160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).