1-(4-fluorophenyl)sulfonyl-2-methylimidazole

C10H9FN2O2S — CID 810103

IUPAC1-(4-fluorophenyl)sulfonyl-2-methylimidazole
SMILESCc1nccn1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O2S/c1-8-12-6-7-13(8)16(14,15)10-4-2-9(11)3-5-10/h2-7H,1H3
InChIKeyBNEISNBFJQBVQH-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.57
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-2-methylimidazole

1-(4-fluorophenyl)sulfonyl-2-methylimidazole (PubChem CID 810103) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2-methylimidazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2-methylimidazole
PubChem CID810103
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC Name1-(4-fluorophenyl)sulfonyl-2-methylimidazole
SMILESCc1nccn1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O2S/c1-8-12-6-7-13(8)16(14,15)10-4-2-9(11)3-5-10/h2-7H,1H3
InChIKeyBNEISNBFJQBVQH-UHFFFAOYSA-N
XLogP1.57
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(p-Toluenesulfonyl)imidazole
CID 75219
1-(3,4-Dimethylbenzenesulfonyl)-2-ethyl-1H-imidazole
CID 645505
1-Ethyl-3-methylimidazolium p-Toluenesulfonate
CID 10636633
1-(2,4-Dibromophenyl)sulfonyl-2-ethylimidazole
CID 644544
N-isopropyl-4-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide
CID 6603520
1-(4-Fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048499
3-(Imidazol-1-ylmethyl)-1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 127048838
1-(3,4-Difluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127050749
1-(4-Fluorophenyl)sulfonyl-2-methyl-4-nitroimidazole
CID 42644917
1-(Benzenesulfonyl)-2-methyl-4-nitroimidazole
CID 45273343
1-[(4-ethylphenyl)sulfonyl]-1H-imidazole
CID 16024709
1-[(2,4-dibromophenyl)sulfonyl]-2-methyl-1H-imidazole
CID 403082

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-methylimidazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-methylimidazole (CID 810103) is 1-(4-fluorophenyl)sulfonyl-2-methylimidazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2-methylimidazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2-methylimidazole is Cc1nccn1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2-methylimidazole?
The InChIKey is BNEISNBFJQBVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S/c1-8-12-6-7-13(8)16(14,15)10-4-2-9(11)3-5-10/h2-7H,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2-methylimidazole?
1-(4-fluorophenyl)sulfonyl-2-methylimidazole has a molecular weight of 240.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2-methylimidazole is sourced from PubChem (CID 810103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).