1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine

C16H20FN3O3S — CID 90493901

IUPAC1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C16H20FN3O3S/c1-23-15-3-2-14(17)10-16(15)24(21,22)20-7-4-13(5-8-20)11-19-9-6-18-12-19/h2-3,6,9-10,12-13H,4-5,7-8,11H2,1H3
InChIKeyCUHYDTDPQAZBSG-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.13
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine

1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine (PubChem CID 90493901) has the molecular formula C16H20FN3O3S and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
PubChem CID90493901
Molecular FormulaC16H20FN3O3S
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C16H20FN3O3S/c1-23-15-3-2-14(17)10-16(15)24(21,22)20-7-4-13(5-8-20)11-19-9-6-18-12-19/h2-3,6,9-10,12-13H,4-5,7-8,11H2,1H3
InChIKeyCUHYDTDPQAZBSG-UHFFFAOYSA-N
XLogP2.13
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 71781099
4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine
CID 155801194
1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048841
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine
CID 95982272
4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 90493883
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 17018156
1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine
CID 90493839
3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163387
1-(3-bromo-4-methoxyphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048839
2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592837
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17018169

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine (CID 90493901) is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine is COc1ccc(F)cc1S(=O)(=O)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine?
The InChIKey is CUHYDTDPQAZBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3S/c1-23-15-3-2-14(17)10-16(15)24(21,22)20-7-4-13(5-8-20)11-19-9-6-18-12-19/h2-3,6,9-10,12-13H,4-5,7-8,11H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine?
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine has a molecular weight of 353.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine is sourced from PubChem (CID 90493901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).