N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide

C19H22FN3O3S — CID 51156302

IUPACN-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
SMILESCCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H22FN3O3S/c1-2-21-19(24)15-4-3-5-18(14-15)27(25,26)23-12-10-22(11-13-23)17-8-6-16(20)7-9-17/h3-9,14H,2,10-13H2,1H3,(H,21,24)
InChIKeyKYJHPEWUZJHMLD-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.09
Rot. Bonds5

About N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide

N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide (PubChem CID 51156302) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
PubChem CID51156302
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
SMILESCCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H22FN3O3S/c1-2-21-19(24)15-4-3-5-18(14-15)27(25,26)23-12-10-22(11-13-23)17-8-6-16(20)7-9-17/h3-9,14H,2,10-13H2,1H3,(H,21,24)
InChIKeyKYJHPEWUZJHMLD-UHFFFAOYSA-N
XLogP2.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-3-methylbutyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 43074877
3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-phenylpropyl)benzamide
CID 27647131
N-(3-ethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 42965111
ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 27000094
3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylphenyl)benzamide
CID 42991837
N-(4-fluoro-2-methylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 26239928
propyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 27000036
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 4879686
3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55661885
[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 78773750
3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(1-pyridin-4-ylethyl)benzamide
CID 112761324
N-(3-cyano-5-ethylthiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 55905431

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide?
The IUPAC name of N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide (CID 51156302) is N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide is CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide?
The InChIKey is KYJHPEWUZJHMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-2-21-19(24)15-4-3-5-18(14-15)27(25,26)23-12-10-22(11-13-23)17-8-6-16(20)7-9-17/h3-9,14H,2,10-13H2,1H3,(H,21,24).
What are the key properties of N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide?
N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide has a molecular weight of 391.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 51156302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).