4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine

C18H19ClFNO3S — CID 110358899

IUPAC4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCC(Oc3cccc(Cl)c3)CC2)ccc1F
InChIInChI=1S/C18H19ClFNO3S/c1-13-11-17(5-6-18(13)20)25(22,23)21-9-7-15(8-10-21)24-16-4-2-3-14(19)12-16/h2-6,11-12,15H,7-10H2,1H3
InChIKeyWIDZZJJZUQWUQN-UHFFFAOYSA-N
MW383.87 g/mol
LogP4.02
Rot. Bonds4

About 4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine

4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine (PubChem CID 110358899) has the molecular formula C18H19ClFNO3S and a molecular weight of 383.87 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine
PubChem CID110358899
Molecular FormulaC18H19ClFNO3S
Molecular Weight383.87 g/mol
Exact Mass383.08
IUPAC Name4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCC(Oc3cccc(Cl)c3)CC2)ccc1F
InChIInChI=1S/C18H19ClFNO3S/c1-13-11-17(5-6-18(13)20)25(22,23)21-9-7-15(8-10-21)24-16-4-2-3-14(19)12-16/h2-6,11-12,15H,7-10H2,1H3
InChIKeyWIDZZJJZUQWUQN-UHFFFAOYSA-N
XLogP4.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine
CID 110358894
4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110358902
4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265671
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
4-(3-chlorophenoxy)-1-propylsulfonylpiperidine
CID 110358892
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine
CID 110420727
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760482
4-(3-chlorophenoxy)piperidine-1-carboxylic acid
CID 22353407

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine (CID 110358899) is 4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine is Cc1cc(S(=O)(=O)N2CCC(Oc3cccc(Cl)c3)CC2)ccc1F.
What is the InChIKey of 4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine?
The InChIKey is WIDZZJJZUQWUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO3S/c1-13-11-17(5-6-18(13)20)25(22,23)21-9-7-15(8-10-21)24-16-4-2-3-14(19)12-16/h2-6,11-12,15H,7-10H2,1H3.
What are the key properties of 4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine?
4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine has a molecular weight of 383.87 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 110358899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).