3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide

C23H24FN3O4S — CID 27739609

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H24FN3O4S/c1-25(17-21-5-3-15-31-21)23(28)18-4-2-6-22(16-18)32(29,30)27-13-11-26(12-14-27)20-9-7-19(24)8-10-20/h2-10,15-16H,11-14,17H2,1H3
InChIKeyAYZLZNXEQDASLQ-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.20
Rot. Bonds6

About 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide

3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide (PubChem CID 27739609) has the molecular formula C23H24FN3O4S and a molecular weight of 457.53 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide
PubChem CID27739609
Molecular FormulaC23H24FN3O4S
Molecular Weight457.53 g/mol
Exact Mass457.15
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H24FN3O4S/c1-25(17-21-5-3-15-31-21)23(28)18-4-2-6-22(16-18)32(29,30)27-13-11-26(12-14-27)20-9-7-19(24)8-10-20/h2-10,15-16H,11-14,17H2,1H3
InChIKeyAYZLZNXEQDASLQ-UHFFFAOYSA-N
XLogP3.20
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide
CID 55329281
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide
CID 55621463
N-[2-(2-chloroanilino)-2-oxoethyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide
CID 24817993
N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 51156302
3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 4824191
3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55661885
ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 27000094
N-[2-(dimethylamino)-3-methylbutyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 43074877
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2160971
N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide
CID 26144756
propyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 27000036
[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 78773750

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide (CID 27739609) is 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide is CN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide?
The InChIKey is AYZLZNXEQDASLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4S/c1-25(17-21-5-3-15-31-21)23(28)18-4-2-6-22(16-18)32(29,30)27-13-11-26(12-14-27)20-9-7-19(24)8-10-20/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide?
3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide has a molecular weight of 457.53 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 27739609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).