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

C10H7F3N2O3S — CID 56647462

IUPAC[4-(trifluoromethyl)phenyl] imidazole-1-sulfonate
SMILESO=S(=O)(Oc1ccc(C(F)(F)F)cc1)n1ccnc1
InChIInChI=1S/C10H7F3N2O3S/c11-10(12,13)8-1-3-9(4-2-8)18-19(16,17)15-6-5-14-7-15/h1-7H
InChIKeyOHIYKBFRKXDSHE-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.07
Rot. Bonds3

About [4-(trifluoromethyl)phenyl] imidazole-1-sulfonate

[4-(trifluoromethyl)phenyl] imidazole-1-sulfonate (PubChem CID 56647462) has the molecular formula C10H7F3N2O3S and a molecular weight of 292.24 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] imidazole-1-sulfonate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] imidazole-1-sulfonate
PubChem CID56647462
Molecular FormulaC10H7F3N2O3S
Molecular Weight292.24 g/mol
Exact Mass292.01
IUPAC Name[4-(trifluoromethyl)phenyl] imidazole-1-sulfonate
SMILESO=S(=O)(Oc1ccc(C(F)(F)F)cc1)n1ccnc1
InChIInChI=1S/C10H7F3N2O3S/c11-10(12,13)8-1-3-9(4-2-8)18-19(16,17)15-6-5-14-7-15/h1-7H
InChIKeyOHIYKBFRKXDSHE-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

4-[(E)-2-(3-methylimidazol-3-ium-1-yl)ethenyl]phenol bromide
CID 13948306
1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole
CID 125476287
Phenyl 1H-imidazole-1-sulfonate
CID 90409877
(4-Methylphenyl) imidazole-1-sulfonate
CID 102480913
[3-(Trifluoromethyl)phenyl] imidazole-1-sulfonate
CID 102480911
CID 162407087
CID 162407087
CID 162410114
CID 162410114
1-[(E)-2-(4-methoxyphenyl)ethenyl]imidazole
CID 12560350
3-Methyl-1-(phenoxysulfonyl)-1H-imidazol-3-ium triflate
CID 90409631
(4-Fluorophenyl) imidazole-1-sulfonate
CID 131845668
1-[2-[4-(Trifluoromethoxy)phenyl]ethyl]imidazole
CID 141157025
(4-Fluorophenyl) 3-methylimidazol-3-ium-1-sulfonate;trifluoromethanesulfonate
CID 142424321

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl] imidazole-1-sulfonate?
The IUPAC name of [4-(trifluoromethyl)phenyl] imidazole-1-sulfonate (CID 56647462) is [4-(trifluoromethyl)phenyl] imidazole-1-sulfonate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] imidazole-1-sulfonate?
The canonical SMILES for [4-(trifluoromethyl)phenyl] imidazole-1-sulfonate is O=S(=O)(Oc1ccc(C(F)(F)F)cc1)n1ccnc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] imidazole-1-sulfonate?
The InChIKey is OHIYKBFRKXDSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3S/c11-10(12,13)8-1-3-9(4-2-8)18-19(16,17)15-6-5-14-7-15/h1-7H.
What are the key properties of [4-(trifluoromethyl)phenyl] imidazole-1-sulfonate?
[4-(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 [4-(trifluoromethyl)phenyl] imidazole-1-sulfonate is sourced from PubChem (CID 56647462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).