N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide

C20H21F2N3O4S — CID 24614368

IUPACN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C20H21F2N3O4S/c1-13(26)23-15-3-5-17(6-4-15)30(28,29)25-10-8-16(9-11-25)24-20(27)14-2-7-18(21)19(22)12-14/h2-7,12,16H,8-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyRMRHPZIHWXNOHV-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.51
Rot. Bonds5

About N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide (PubChem CID 24614368) has the molecular formula C20H21F2N3O4S and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide
PubChem CID24614368
Molecular FormulaC20H21F2N3O4S
Molecular Weight437.47 g/mol
Exact Mass437.12
IUPAC NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C20H21F2N3O4S/c1-13(26)23-15-3-5-17(6-4-15)30(28,29)25-10-8-16(9-11-25)24-20(27)14-2-7-18(21)19(22)12-14/h2-7,12,16H,8-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyRMRHPZIHWXNOHV-UHFFFAOYSA-N
XLogP2.51
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108560172
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108559105
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 24611620
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 24614398
N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 110726948
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 154858329
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 24614405
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 24611592

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide (CID 24614368) is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide?
The InChIKey is RMRHPZIHWXNOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O4S/c1-13(26)23-15-3-5-17(6-4-15)30(28,29)25-10-8-16(9-11-25)24-20(27)14-2-7-18(21)19(22)12-14/h2-7,12,16H,8-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide?
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide has a molecular weight of 437.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 24614368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).