1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine

C16H20FN3O2S — CID 127048841

IUPAC1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C16H20FN3O2S/c1-13-9-15(17)4-5-16(13)23(21,22)20-7-2-3-14(11-20)10-19-8-6-18-12-19/h4-6,8-9,12,14H,2-3,7,10-11H2,1H3
InChIKeyWIQFIIBVRAURMC-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.43
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine

1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine (PubChem CID 127048841) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
PubChem CID127048841
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C16H20FN3O2S/c1-13-9-15(17)4-5-16(13)23(21,22)20-7-2-3-14(11-20)10-19-8-6-18-12-19/h4-6,8-9,12,14H,2-3,7,10-11H2,1H3
InChIKeyWIQFIIBVRAURMC-UHFFFAOYSA-N
XLogP2.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493901
1-(3-bromo-4-methoxyphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048839
1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132278
3-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 114801916
3-cyclopropyl-5-[[(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993259
3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993262
3-(chloromethyl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 63397617
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 90642122
3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 121197715
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine
CID 110605443

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine (CID 127048841) is 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine is Cc1cc(F)ccc1S(=O)(=O)N1CCCC(Cn2ccnc2)C1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine?
The InChIKey is WIQFIIBVRAURMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-13-9-15(17)4-5-16(13)23(21,22)20-7-2-3-14(11-20)10-19-8-6-18-12-19/h4-6,8-9,12,14H,2-3,7,10-11H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine?
1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine has a molecular weight of 337.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine is sourced from PubChem (CID 127048841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).