methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate

C21H23FN2O5S — CID 71796819

IUPACmethyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H23FN2O5S/c1-29-21(26)16-6-8-17(9-7-16)30(27,28)23-14-15-10-12-24(13-11-15)20(25)18-4-2-3-5-19(18)22/h2-9,15,23H,10-14H2,1H3
InChIKeyNFWNZIMUPMGXEB-UHFFFAOYSA-N
MW434.49 g/mol
LogP2.44
Rot. Bonds6

About methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate

methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate (PubChem CID 71796819) has the molecular formula C21H23FN2O5S and a molecular weight of 434.49 g/mol. Its IUPAC name is methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate
PubChem CID71796819
Molecular FormulaC21H23FN2O5S
Molecular Weight434.49 g/mol
Exact Mass434.13
IUPAC Namemethyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H23FN2O5S/c1-29-21(26)16-6-8-17(9-7-16)30(27,28)23-14-15-10-12-24(13-11-15)20(25)18-4-2-3-5-19(18)22/h2-9,15,23H,10-14H2,1H3
InChIKeyNFWNZIMUPMGXEB-UHFFFAOYSA-N
XLogP2.44
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563623
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563627
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110661954
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 55702827
4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521856
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
methyl 4-[(1-phenylpyrrolidin-2-yl)methylsulfamoyl]benzoate
CID 90620037
4-ethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521148
2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592510
N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110736227

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate?
The IUPAC name of methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate (CID 71796819) is methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1.
What is the InChIKey of methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate?
The InChIKey is NFWNZIMUPMGXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O5S/c1-29-21(26)16-6-8-17(9-7-16)30(27,28)23-14-15-10-12-24(13-11-15)20(25)18-4-2-3-5-19(18)22/h2-9,15,23H,10-14H2,1H3.
What are the key properties of methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate?
methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate has a molecular weight of 434.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate is sourced from PubChem (CID 71796819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).