1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine

C20H24FNO4S — CID 163318377

IUPAC1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCCC(OC)C3)cc2C)cc1F
InChIInChI=1S/C20H24FNO4S/c1-14-11-17(27(23,24)22-10-4-5-16(13-22)25-2)7-8-18(14)15-6-9-20(26-3)19(21)12-15/h6-9,11-12,16H,4-5,10,13H2,1-3H3
InChIKeyBDPCBWAYZKCKJI-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.61
Rot. Bonds5

About 1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine

1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine (PubChem CID 163318377) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is 1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine.

Molecular Properties

Compound Name1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine
PubChem CID163318377
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCCC(OC)C3)cc2C)cc1F
InChIInChI=1S/C20H24FNO4S/c1-14-11-17(27(23,24)22-10-4-5-16(13-22)25-2)7-8-18(14)15-6-9-20(26-3)19(21)12-15/h6-9,11-12,16H,4-5,10,13H2,1-3H3
InChIKeyBDPCBWAYZKCKJI-UHFFFAOYSA-N
XLogP3.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine
CID 103697564
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidine-3-carboxylic acid
CID 81127690
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268447
1-[2-chloro-4-(2-fluoro-4-methoxyphenyl)phenyl]sulfonyl-3-methoxypiperidine
CID 171913218
(4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane
CID 135104842
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732193
2-methoxy-5-(3-methoxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 103531339
1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine
CID 162627048

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine?
The IUPAC name of 1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine (CID 163318377) is 1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine.
What is the SMILES notation for 1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine?
The canonical SMILES for 1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine is COc1ccc(-c2ccc(S(=O)(=O)N3CCCC(OC)C3)cc2C)cc1F.
What is the InChIKey of 1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine?
The InChIKey is BDPCBWAYZKCKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-14-11-17(27(23,24)22-10-4-5-16(13-22)25-2)7-8-18(14)15-6-9-20(26-3)19(21)12-15/h6-9,11-12,16H,4-5,10,13H2,1-3H3.
What are the key properties of 1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine?
1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine has a molecular weight of 393.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine is sourced from PubChem (CID 163318377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).