2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole

C14H16FN3O2S — CID 124976182

IUPAC2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
SMILESCc1cnc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)[nH]1
InChIInChI=1S/C14H16FN3O2S/c1-10-9-16-14(17-10)13-6-3-7-18(13)21(19,20)12-5-2-4-11(15)8-12/h2,4-5,8-9,13H,3,6-7H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyLDNBZOTUZONXRM-ZDUSSCGKSA-N
MW309.37 g/mol
LogP2.38
Rot. Bonds3

About 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole

2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole (PubChem CID 124976182) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
PubChem CID124976182
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
SMILESCc1cnc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)[nH]1
InChIInChI=1S/C14H16FN3O2S/c1-10-9-16-14(17-10)13-6-3-7-18(13)21(19,20)12-5-2-4-11(15)8-12/h2,4-5,8-9,13H,3,6-7H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyLDNBZOTUZONXRM-ZDUSSCGKSA-N
XLogP2.38
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104553
2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104512
4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 110105191
4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 110114763
5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole
CID 124999412
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
6-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 118740204
1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 18170893
1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 124961579
1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 118740396
5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole
CID 110104284
methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409871

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
The IUPAC name of 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole (CID 124976182) is 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole.
What is the SMILES notation for 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
The canonical SMILES for 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole is Cc1cnc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)[nH]1.
What is the InChIKey of 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
The InChIKey is LDNBZOTUZONXRM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-10-9-16-14(17-10)13-6-3-7-18(13)21(19,20)12-5-2-4-11(15)8-12/h2,4-5,8-9,13H,3,6-7H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole has a molecular weight of 309.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole is sourced from PubChem (CID 124976182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).