1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine

C16H19F2N3O2S — CID 154779738

IUPAC1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine
SMILESCc1cc(F)c(S(=O)(=O)N2CCC(C)C(n3ccnc3)C2)cc1F
InChIInChI=1S/C16H19F2N3O2S/c1-11-3-5-21(9-15(11)20-6-4-19-10-20)24(22,23)16-8-13(17)12(2)7-14(16)18/h4,6-8,10-11,15H,3,5,9H2,1-2H3
InChIKeyQGINIALUDHPZBS-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.74
Rot. Bonds3

About 1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine

1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine (PubChem CID 154779738) has the molecular formula C16H19F2N3O2S and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine
PubChem CID154779738
Molecular FormulaC16H19F2N3O2S
Molecular Weight355.41 g/mol
Exact Mass355.12
IUPAC Name1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine
SMILESCc1cc(F)c(S(=O)(=O)N2CCC(C)C(n3ccnc3)C2)cc1F
InChIInChI=1S/C16H19F2N3O2S/c1-11-3-5-21(9-15(11)20-6-4-19-10-20)24(22,23)16-8-13(17)12(2)7-14(16)18/h4,6-8,10-11,15H,3,5,9H2,1-2H3
InChIKeyQGINIALUDHPZBS-UHFFFAOYSA-N
XLogP2.74
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine 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

(3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine
CID 124887881
1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 91604099
[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119963938
(4aR,8aS)-6-(2,4-difluoro-5-methylphenyl)sulfonyl-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129482919
1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981915
(4aS,8aS)-1-cyclopropyl-6-(2,4-difluoro-5-methylphenyl)sulfonyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 98854819
1-[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984585
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
(3S)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031393
6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054346
3-(2,4,5-trifluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989367

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine (CID 154779738) is 1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine is Cc1cc(F)c(S(=O)(=O)N2CCC(C)C(n3ccnc3)C2)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine?
The InChIKey is QGINIALUDHPZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2S/c1-11-3-5-21(9-15(11)20-6-4-19-10-20)24(22,23)16-8-13(17)12(2)7-14(16)18/h4,6-8,10-11,15H,3,5,9H2,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine?
1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine has a molecular weight of 355.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine is sourced from PubChem (CID 154779738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).