2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole

C14H15F2N3O2S — CID 110104922

IUPAC2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole
SMILESCc1cnc(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)[nH]1
InChIInChI=1S/C14H15F2N3O2S/c1-9-7-17-14(18-9)10-4-5-19(8-10)22(20,21)11-2-3-12(15)13(16)6-11/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,18)
InChIKeyMBVOQSKBQODMLZ-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.17
Rot. Bonds3

About 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole

2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole (PubChem CID 110104922) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole
PubChem CID110104922
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole
SMILESCc1cnc(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)[nH]1
InChIInChI=1S/C14H15F2N3O2S/c1-9-7-17-14(18-9)10-4-5-19(8-10)22(20,21)11-2-3-12(15)13(16)6-11/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,18)
InChIKeyMBVOQSKBQODMLZ-UHFFFAOYSA-N
XLogP2.17
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124953145
(3S)-1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354830
4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 110105191
1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868603
6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 110115186
(3R)-1-cyclopentylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124985042
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 87054380
(3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124991094
2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92568226
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636413
(3aS,6aR)-2-(3,4-difluorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 173069403
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 124562567

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole?
The IUPAC name of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole (CID 110104922) is 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole is Cc1cnc(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)[nH]1.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole?
The InChIKey is MBVOQSKBQODMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c1-9-7-17-14(18-9)10-4-5-19(8-10)22(20,21)11-2-3-12(15)13(16)6-11/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,18).
What are the key properties of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole?
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole has a molecular weight of 327.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole is sourced from PubChem (CID 110104922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).