[3-(trifluoromethyl)phenyl] imidazole-1-sulfonate

C10H7F3N2O3S — CID 102480911

IUPAC[3-(trifluoromethyl)phenyl] imidazole-1-sulfonate
SMILESO=S(=O)(Oc1cccc(C(F)(F)F)c1)n1ccnc1
InChIInChI=1S/C10H7F3N2O3S/c11-10(12,13)8-2-1-3-9(6-8)18-19(16,17)15-5-4-14-7-15/h1-7H
InChIKeyDXPJSEAPPPMWEG-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.07
Rot. Bonds3

About [3-(trifluoromethyl)phenyl] imidazole-1-sulfonate

[3-(trifluoromethyl)phenyl] imidazole-1-sulfonate (PubChem CID 102480911) has the molecular formula C10H7F3N2O3S and a molecular weight of 292.24 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl] imidazole-1-sulfonate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl] imidazole-1-sulfonate
PubChem CID102480911
Molecular FormulaC10H7F3N2O3S
Molecular Weight292.24 g/mol
Exact Mass292.01
IUPAC Name[3-(trifluoromethyl)phenyl] imidazole-1-sulfonate
SMILESO=S(=O)(Oc1cccc(C(F)(F)F)c1)n1ccnc1
InChIInChI=1S/C10H7F3N2O3S/c11-10(12,13)8-2-1-3-9(6-8)18-19(16,17)15-5-4-14-7-15/h1-7H
InChIKeyDXPJSEAPPPMWEG-UHFFFAOYSA-N
XLogP2.07
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Phenyl 1H-imidazole-1-sulfonate
CID 90409877
(4-Methylphenyl) imidazole-1-sulfonate
CID 102480913
CID 162408904
CID 162408904
CID 162409929
CID 162409929
3-Methyl-1-(phenoxysulfonyl)-1H-imidazol-3-ium triflate
CID 90409631
1-[2-[3-(Trifluoromethoxy)phenyl]ethynyl]imidazole
CID 118195086
(4-Fluorophenyl) imidazole-1-sulfonate
CID 131845668
(4-Fluorophenyl) 3-methylimidazol-3-ium-1-sulfonate;trifluoromethanesulfonate
CID 142424321
(4-Fluorophenyl) 3-methylimidazol-3-ium-1-sulfonate
CID 142424322
1-(3-Fluoro-4-propan-2-ylphenoxy)imidazole
CID 176770902
(3,5-Dimethylphenyl) imidazole-1-sulfonate
CID 102591651
Naphthalen-2-yl imidazole-1-sulfonate
CID 42604972

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl] imidazole-1-sulfonate?
The IUPAC name of [3-(trifluoromethyl)phenyl] imidazole-1-sulfonate (CID 102480911) is [3-(trifluoromethyl)phenyl] imidazole-1-sulfonate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl] imidazole-1-sulfonate?
The canonical SMILES for [3-(trifluoromethyl)phenyl] imidazole-1-sulfonate is O=S(=O)(Oc1cccc(C(F)(F)F)c1)n1ccnc1.
What is the InChIKey of [3-(trifluoromethyl)phenyl] imidazole-1-sulfonate?
The InChIKey is DXPJSEAPPPMWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3S/c11-10(12,13)8-2-1-3-9(6-8)18-19(16,17)15-5-4-14-7-15/h1-7H.
What are the key properties of [3-(trifluoromethyl)phenyl] imidazole-1-sulfonate?
[3-(trifluoromethyl)phenyl] imidazole-1-sulfonate has a molecular weight of 292.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl] imidazole-1-sulfonate is sourced from PubChem (CID 102480911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).