1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide

C13H14F3N3O3S — CID 97355094

IUPAC1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O3S/c1-19-7-11(17-9-19)23(21,22)18-8-12(20,13(14,15)16)10-5-3-2-4-6-10/h2-7,9,18,20H,8H2,1H3/t12-/m0/s1
InChIKeyZMOYVCYKIUJEGF-LBPRGKRZSA-N
MW349.33 g/mol
LogP1.15
Rot. Bonds5

About 1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide

1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide (PubChem CID 97355094) has the molecular formula C13H14F3N3O3S and a molecular weight of 349.33 g/mol. Its IUPAC name is 1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide
PubChem CID97355094
Molecular FormulaC13H14F3N3O3S
Molecular Weight349.33 g/mol
Exact Mass349.07
IUPAC Name1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O3S/c1-19-7-11(17-9-19)23(21,22)18-8-12(20,13(14,15)16)10-5-3-2-4-6-10/h2-7,9,18,20H,8H2,1H3/t12-/m0/s1
InChIKeyZMOYVCYKIUJEGF-LBPRGKRZSA-N
XLogP1.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide
CID 97355076
1-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]pyrazole-4-sulfonamide
CID 99819088
N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide
CID 115362968
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498025
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide
CID 103838100
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide
CID 97355129
4-bromo-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498080
3,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,2-oxazole-4-sulfonamide
CID 95376531
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 95367420
N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide
CID 95376528
4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 71781995
3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62374275

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide (CID 97355094) is 1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c1.
What is the InChIKey of 1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide?
The InChIKey is ZMOYVCYKIUJEGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14F3N3O3S/c1-19-7-11(17-9-19)23(21,22)18-8-12(20,13(14,15)16)10-5-3-2-4-6-10/h2-7,9,18,20H,8H2,1H3/t12-/m0/s1.
What are the key properties of 1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide?
1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide has a molecular weight of 349.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide is sourced from PubChem (CID 97355094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).