1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine

C17H22FN3O5S2 — CID 86265164

IUPAC1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc1F
InChIInChI=1S/C17H22FN3O5S2/c1-3-26-16-5-4-14(12-15(16)18)28(24,25)21-9-6-13(7-10-21)27(22,23)17-19-8-11-20(17)2/h4-5,8,11-13H,3,6-7,9-10H2,1-2H3
InChIKeyBFOYBOWHHOMIAT-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.58
Rot. Bonds6

About 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine

1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine (PubChem CID 86265164) has the molecular formula C17H22FN3O5S2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine
PubChem CID86265164
Molecular FormulaC17H22FN3O5S2
Molecular Weight431.51 g/mol
Exact Mass431.10
IUPAC Name1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc1F
InChIInChI=1S/C17H22FN3O5S2/c1-3-26-16-5-4-14(12-15(16)18)28(24,25)21-9-6-13(7-10-21)27(22,23)17-19-8-11-20(17)2/h4-5,8,11-13H,3,6-7,9-10H2,1-2H3
InChIKeyBFOYBOWHHOMIAT-UHFFFAOYSA-N
XLogP1.58
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine
CID 121197743
1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 934597
2-[1-[1-(4-ethoxy-3-fluorophenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617994
4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 86265156
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592455
4-[4-(4-ethoxy-3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339883
1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 71809113
1-[(3S)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole
CID 99987062
1-(3-ethoxy-4-fluorophenyl)sulfonylazepane
CID 935230
1-(2-ethoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592429
3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine
CID 90587901
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine?
The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine (CID 86265164) is 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine?
The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine is CCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine?
The InChIKey is BFOYBOWHHOMIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O5S2/c1-3-26-16-5-4-14(12-15(16)18)28(24,25)21-9-6-13(7-10-21)27(22,23)17-19-8-11-20(17)2/h4-5,8,11-13H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine?
1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine has a molecular weight of 431.51 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine is sourced from PubChem (CID 86265164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).