1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine

C16H21FN4O2S — CID 14278721

IUPAC1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(CCCn2ccnc2)CC1
InChIInChI=1S/C16H21FN4O2S/c17-15-2-4-16(5-3-15)24(22,23)21-12-10-19(11-13-21)7-1-8-20-9-6-18-14-20/h2-6,9,14H,1,7-8,10-13H2
InChIKeyAWWBAHOLOARXFK-UHFFFAOYSA-N
MW352.43 g/mol
LogP1.42
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine

1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine (PubChem CID 14278721) has the molecular formula C16H21FN4O2S and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine
PubChem CID14278721
Molecular FormulaC16H21FN4O2S
Molecular Weight352.43 g/mol
Exact Mass352.14
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(CCCn2ccnc2)CC1
InChIInChI=1S/C16H21FN4O2S/c17-15-2-4-16(5-3-15)24(22,23)21-12-10-19(11-13-21)7-1-8-20-9-6-18-14-20/h2-6,9,14H,1,7-8,10-13H2
InChIKeyAWWBAHOLOARXFK-UHFFFAOYSA-N
XLogP1.42
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-Imidazol-1-yl-propyl)-4-methylsulfanyl-benzenesulfonamide
CID 6459195
1-(4-Fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048499
3-(Imidazol-1-ylmethyl)-1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 127048838
1-(4-Fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048841
3-(Imidazol-1-ylmethyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine
CID 127049169
4-[3-(Imidazol-1-ylmethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 127049828
1-(3,4-Difluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127050749
1-(3-Chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127051351
1-(4-Fluoro-3-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127052903
1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide
CID 6463963
1-(4-Fluoro-benzenesulfonyl)-2-methyl-1H-imidazole
CID 810103
1-(4-Fluorophenyl)sulfonyl-4-methylimidazole
CID 804721

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine (CID 14278721) is 1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine is O=S(=O)(c1ccc(F)cc1)N1CCN(CCCn2ccnc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine?
The InChIKey is AWWBAHOLOARXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2S/c17-15-2-4-16(5-3-15)24(22,23)21-12-10-19(11-13-21)7-1-8-20-9-6-18-14-20/h2-6,9,14H,1,7-8,10-13H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine?
1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine has a molecular weight of 352.43 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine is sourced from PubChem (CID 14278721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).