1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine

C18H20FNO3S — CID 110605443

IUPAC1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C18H20FNO3S/c1-14-12-15(19)9-10-18(14)24(21,22)20-11-5-8-17(13-20)23-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3
InChIKeyZPZFHNOWVPCHTI-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.37
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine

1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine (PubChem CID 110605443) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine
PubChem CID110605443
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C18H20FNO3S/c1-14-12-15(19)9-10-18(14)24(21,22)20-11-5-8-17(13-20)23-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3
InChIKeyZPZFHNOWVPCHTI-UHFFFAOYSA-N
XLogP3.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine 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-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 51055229
1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132278
2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126854612
4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265559
3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 121197715
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine
CID 122256039
(3S)-3-(4-fluorophenoxy)-1-(2-methylsulfonylphenyl)sulfonylpyrrolidine
CID 154843466
3-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)sulfonylazepane
CID 121146863
3-methyl-6-(3-phenoxypiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 110605467
methyl 1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47305546

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine (CID 110605443) is 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine is Cc1cc(F)ccc1S(=O)(=O)N1CCCC(Oc2ccccc2)C1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine?
The InChIKey is ZPZFHNOWVPCHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-14-12-15(19)9-10-18(14)24(21,22)20-11-5-8-17(13-20)23-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine?
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine has a molecular weight of 349.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine is sourced from PubChem (CID 110605443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).