(4-fluorophenyl) imidazole-1-sulfonate

C9H7FN2O3S — CID 131845668

IUPAC(4-fluorophenyl) imidazole-1-sulfonate
SMILESO=S(=O)(Oc1ccc(F)cc1)n1ccnc1
InChIInChI=1S/C9H7FN2O3S/c10-8-1-3-9(4-2-8)15-16(13,14)12-6-5-11-7-12/h1-7H
InChIKeyKAVHTWSPKAKBQU-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.19
Rot. Bonds3

About (4-fluorophenyl) imidazole-1-sulfonate

(4-fluorophenyl) imidazole-1-sulfonate (PubChem CID 131845668) has the molecular formula C9H7FN2O3S and a molecular weight of 242.23 g/mol. Its IUPAC name is (4-fluorophenyl) imidazole-1-sulfonate.

Molecular Properties

Compound Name(4-fluorophenyl) imidazole-1-sulfonate
PubChem CID131845668
Molecular FormulaC9H7FN2O3S
Molecular Weight242.23 g/mol
Exact Mass242.02
IUPAC Name(4-fluorophenyl) imidazole-1-sulfonate
SMILESO=S(=O)(Oc1ccc(F)cc1)n1ccnc1
InChIInChI=1S/C9H7FN2O3S/c10-8-1-3-9(4-2-8)15-16(13,14)12-6-5-11-7-12/h1-7H
InChIKeyKAVHTWSPKAKBQU-UHFFFAOYSA-N
XLogP1.19
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Phenyl 1H-imidazole-1-sulfonate
CID 90409877
(4-Methoxyphenyl) imidazole-1-sulfonate
CID 102480912
(4-Methylphenyl) imidazole-1-sulfonate
CID 102480913
[3-(Trifluoromethyl)phenyl] imidazole-1-sulfonate
CID 102480911
4-bromophenyl 1H-imidazole-1-sulfonate
CID 155926143
1-[3-(4-Fluorophenoxy)prop-2-ynyl]imidazole
CID 68159990
3-Methyl-1-(phenoxysulfonyl)-1H-imidazol-3-ium triflate
CID 90409631
1-Ethyl-2-(4-fluorophenoxy)imidazole
CID 117189877
1H-imidazole;phenyl trifluoromethanesulfonate
CID 132143878
(4-Fluorophenyl) 3-methylimidazol-3-ium-1-sulfonate;trifluoromethanesulfonate
CID 142424321
(4-Fluorophenyl) 3-methylimidazol-3-ium-1-sulfonate
CID 142424322
3-(2-fluorophenoxy)-1H-imidazol-3-ium
CID 149985933

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) imidazole-1-sulfonate?
The IUPAC name of (4-fluorophenyl) imidazole-1-sulfonate (CID 131845668) is (4-fluorophenyl) imidazole-1-sulfonate.
What is the SMILES notation for (4-fluorophenyl) imidazole-1-sulfonate?
The canonical SMILES for (4-fluorophenyl) imidazole-1-sulfonate is O=S(=O)(Oc1ccc(F)cc1)n1ccnc1.
What is the InChIKey of (4-fluorophenyl) imidazole-1-sulfonate?
The InChIKey is KAVHTWSPKAKBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O3S/c10-8-1-3-9(4-2-8)15-16(13,14)12-6-5-11-7-12/h1-7H.
What are the key properties of (4-fluorophenyl) imidazole-1-sulfonate?
(4-fluorophenyl) imidazole-1-sulfonate has a molecular weight of 242.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) imidazole-1-sulfonate is sourced from PubChem (CID 131845668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).