1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine

C19H26FN5O2S — CID 126892901

IUPAC1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine
SMILESCC(C)n1cnc(S(=O)(=O)N2CC(N3CCN(c4ccc(F)cc4)CC3)C2)c1
InChIInChI=1S/C19H26FN5O2S/c1-15(2)24-13-19(21-14-24)28(26,27)25-11-18(12-25)23-9-7-22(8-10-23)17-5-3-16(20)4-6-17/h3-6,13-15,18H,7-12H2,1-2H3
InChIKeyOBCRRWSVEYZSDE-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.80
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine

1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine (PubChem CID 126892901) has the molecular formula C19H26FN5O2S and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine
PubChem CID126892901
Molecular FormulaC19H26FN5O2S
Molecular Weight407.52 g/mol
Exact Mass407.18
IUPAC Name1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine
SMILESCC(C)n1cnc(S(=O)(=O)N2CC(N3CCN(c4ccc(F)cc4)CC3)C2)c1
InChIInChI=1S/C19H26FN5O2S/c1-15(2)24-13-19(21-14-24)28(26,27)25-11-18(12-25)23-9-7-22(8-10-23)17-5-3-16(20)4-6-17/h3-6,13-15,18H,7-12H2,1-2H3
InChIKeyOBCRRWSVEYZSDE-UHFFFAOYSA-N
XLogP1.80
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole
CID 126901276
3-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159679
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 126892897
2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole
CID 121178903
1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
CID 109379638
5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 119100778
4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine
CID 139009470
2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126858194
1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine
CID 126771185
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine
CID 126892915
4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 124590329
4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione
CID 119105849

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine (CID 126892901) is 1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine is CC(C)n1cnc(S(=O)(=O)N2CC(N3CCN(c4ccc(F)cc4)CC3)C2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine?
The InChIKey is OBCRRWSVEYZSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O2S/c1-15(2)24-13-19(21-14-24)28(26,27)25-11-18(12-25)23-9-7-22(8-10-23)17-5-3-16(20)4-6-17/h3-6,13-15,18H,7-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine?
1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine has a molecular weight of 407.52 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine is sourced from PubChem (CID 126892901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).