N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

C20H21FN2O4S — CID 26665148

IUPACN-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C20H21FN2O4S/c1-14(24)15-5-8-17(9-6-15)22-20(25)16-7-10-18(21)19(13-16)28(26,27)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,22,25)
InChIKeyULZYTUPTSSEMHG-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.46
Rot. Bonds5

About N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 26665148) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
PubChem CID26665148
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC NameN-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C20H21FN2O4S/c1-14(24)15-5-8-17(9-6-15)22-20(25)16-7-10-18(21)19(13-16)28(26,27)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,22,25)
InChIKeyULZYTUPTSSEMHG-UHFFFAOYSA-N
XLogP3.46
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27906900
N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 17434438
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647831
N-(3-chloro-4-methoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26735927
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2583012
N-(3-ethynylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 43042263
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (CID 26665148) is N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is CC(=O)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ULZYTUPTSSEMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c1-14(24)15-5-8-17(9-6-15)22-20(25)16-7-10-18(21)19(13-16)28(26,27)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,22,25).
What are the key properties of N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 404.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26665148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).