4-(2,2-dimethylpropyl)-2-{2-[4-(5-fluoropyridin-2-yl)phenyl]-1-methylethyl}-N,N-dimethyl-1H-imidazole-1-sulfonamide

HCID 66705682

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(Cc1ccc(-c2ccc(F)cn2)cc1)c1nc(CC(C)(C)C)cn1S(=O)(=O)N(C)C
InChIKey: VHWXHSJBWFTODV-UHFFFAOYSA-N
Molecular formula: C24H31FN4O2S
Average molar mass: 458.6 g/mol
Monoisotopic mass: 458.21517558

Names & identifiers

Preferred name: 4-(2,2-dimethylpropyl)-2-{2-[4-(5-fluoropyridin-2-yl)phenyl]-1-methylethyl}-N,N-dimethyl-1H-imidazole-1-sulfonamide
IUPAC: 4-(2,2-dimethylpropyl)-2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-yl]-N,N-dimethylimidazole-1-sulfonamide

Names & synonyms

SCHEMBL502355VHWXHSJBWFTODV-UHFFFAOYSA-N4-(2,2-dimethylpropyl)-2-{2-[4-(5-fluoropyridin-2-yl)phenyl]-1-methylethyl}-N,N-dimethyl-1H-imidazole-1-sulfonamide

Database identifiers

PubChem CID: 66705682

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 76.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 698

Related reactions

7 records

New reaction record

HRID 171216As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 191131As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 425431As productuspto-grants-2012_01

HRID 425432As reactantuspto-grants-2012_01

HRID 802758As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1881516As productuspto-grants-2012_11

HRID 1881517As reactantuspto-grants-2012_11

Compound notes

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