N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide

C19H22FN3O3S — CID 2902107

IUPACN-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-15(24)21-18-6-8-19(9-7-18)27(25,26)23-12-10-22(11-13-23)14-16-2-4-17(20)5-3-16/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyVSDSCLXWCLUIMH-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.29
Rot. Bonds5

About N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 2902107) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID2902107
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-15(24)21-18-6-8-19(9-7-18)27(25,26)23-12-10-22(11-13-23)14-16-2-4-17(20)5-3-16/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyVSDSCLXWCLUIMH-UHFFFAOYSA-N
XLogP2.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1342008
4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide
CID 71902996
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
N-[4-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1150482
N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide
CID 4150837
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3675075
N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 26070513
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925178
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide (CID 2902107) is N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is VSDSCLXWCLUIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-15(24)21-18-6-8-19(9-7-18)27(25,26)23-12-10-22(11-13-23)14-16-2-4-17(20)5-3-16/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 2902107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).