N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide

C22H28FN3O3S — CID 42175355

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C22H28FN3O3S/c1-17-4-5-19(16-18(17)2)22(27)24-10-3-15-30(28,29)26-13-11-25(12-14-26)21-8-6-20(23)7-9-21/h4-9,16H,3,10-15H2,1-2H3,(H,24,27)
InChIKeyMSRBPFFOPOBYCO-UHFFFAOYSA-N
MW433.55 g/mol
LogP2.71
Rot. Bonds7

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide (PubChem CID 42175355) has the molecular formula C22H28FN3O3S and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide
PubChem CID42175355
Molecular FormulaC22H28FN3O3S
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C22H28FN3O3S/c1-17-4-5-19(16-18(17)2)22(27)24-10-3-15-30(28,29)26-13-11-25(12-14-26)21-8-6-20(23)7-9-21/h4-9,16H,3,10-15H2,1-2H3,(H,24,27)
InChIKeyMSRBPFFOPOBYCO-UHFFFAOYSA-N
XLogP2.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175227
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-4-methyl-3-nitrobenzamide
CID 27536947
2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175274
3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175324
4-tert-butyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175781
3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175212
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,3-diphenylpropanamide
CID 42175427
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide
CID 18565403
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175426
4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-propylbenzamide
CID 27256223
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349917
5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide
CID 22578842

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide (CID 42175355) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide?
The InChIKey is MSRBPFFOPOBYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3S/c1-17-4-5-19(16-18(17)2)22(27)24-10-3-15-30(28,29)26-13-11-25(12-14-26)21-8-6-20(23)7-9-21/h4-9,16H,3,10-15H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide has a molecular weight of 433.55 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 42175355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).