4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one

C23H20F3N5O6S2 — CID 90965455

IUPAC4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1ccncc1NS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C23H20F3N5O6S2/c1-15-21(32)31(18-7-9-19(10-8-18)38(34,35)23(24,25)26)22(33)30(15)14-16-11-12-27-13-20(16)29-39(36,37)28-17-5-3-2-4-6-17/h2-13,28-29,32H,14H2,1H3
InChIKeyKILRKAFMSHZWMY-UHFFFAOYSA-N
MW583.57 g/mol
LogP3.16
Rot. Bonds8

About 4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one

4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one (PubChem CID 90965455) has the molecular formula C23H20F3N5O6S2 and a molecular weight of 583.57 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
PubChem CID90965455
Molecular FormulaC23H20F3N5O6S2
Molecular Weight583.57 g/mol
Exact Mass583.08
IUPAC Name4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1ccncc1NS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C23H20F3N5O6S2/c1-15-21(32)31(18-7-9-19(10-8-18)38(34,35)23(24,25)26)22(33)30(15)14-16-11-12-27-13-20(16)29-39(36,37)28-17-5-3-2-4-6-17/h2-13,28-29,32H,14H2,1H3
InChIKeyKILRKAFMSHZWMY-UHFFFAOYSA-N
XLogP3.16
TPSA152.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.57
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

Analyze 4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one with MolForge

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Related Compounds

N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide
CID 90710074
4-hydroxy-5-methyl-1-[(3-phenyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91450057
1-[(3-anilino-4-pyridinyl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91381967
4-hydroxy-5-methyl-1-[[3-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 90686432
1-[[8-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91432835
1-[(2-benzyl-4-pyridinyl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91597391
1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91024131
4-hydroxy-5-methyl-1-[[2-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91035699
1-[[3-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91164387
ethyl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]carbamate
CID 91386174
4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine
CID 141097465
4-hydroxy-5-methyl-1-[(6-piperidin-1-ylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91129517

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
The IUPAC name of 4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one (CID 90965455) is 4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one.
What is the SMILES notation for 4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
The canonical SMILES for 4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one is Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1ccncc1NS(=O)(=O)Nc1ccccc1.
What is the InChIKey of 4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
The InChIKey is KILRKAFMSHZWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O6S2/c1-15-21(32)31(18-7-9-19(10-8-18)38(34,35)23(24,25)26)22(33)30(15)14-16-11-12-27-13-20(16)29-39(36,37)28-17-5-3-2-4-6-17/h2-13,28-29,32H,14H2,1H3.
What are the key properties of 4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one has a molecular weight of 583.57 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one is sourced from PubChem (CID 90965455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).