[4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone

C23H28FN3O3S — CID 2953856

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)CC1
InChIInChI=1S/C23H28FN3O3S/c1-18-9-11-27(12-10-18)31(29,30)22-4-2-3-19(17-22)23(28)26-15-13-25(14-16-26)21-7-5-20(24)6-8-21/h2-8,17-18H,9-16H2,1H3
InChIKeyLGUJWGCOWJSHHS-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.21
Rot. Bonds4

About [4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone (PubChem CID 2953856) has the molecular formula C23H28FN3O3S and a molecular weight of 445.56 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
PubChem CID2953856
Molecular FormulaC23H28FN3O3S
Molecular Weight445.56 g/mol
Exact Mass445.18
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)CC1
InChIInChI=1S/C23H28FN3O3S/c1-18-9-11-27(12-10-18)31(29,30)22-4-2-3-19(17-22)23(28)26-15-13-25(14-16-26)21-7-5-20(24)6-8-21/h2-8,17-18H,9-16H2,1H3
InChIKeyLGUJWGCOWJSHHS-UHFFFAOYSA-N
XLogP3.21
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one
CID 619281
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096
4-(3,4-Dihydroquinolin-1(2h)-Ylcarbonyl)benzenesulfonamide
CID 91827503
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
CID 992258
N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2315073
N-cyclopentyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2358978
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 2438347
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2531485
N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4781208
N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4783068

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone (CID 2953856) is [4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone is CC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The InChIKey is LGUJWGCOWJSHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3S/c1-18-9-11-27(12-10-18)31(29,30)22-4-2-3-19(17-22)23(28)26-15-13-25(14-16-26)21-7-5-20(24)6-8-21/h2-8,17-18H,9-16H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone has a molecular weight of 445.56 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 2953856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).