2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide

C19H22FN3O3S — CID 40702187

IUPAC2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C19H22FN3O3S/c1-21(16-7-3-2-4-8-16)19(24)15-22-11-13-23(14-12-22)27(25,26)18-10-6-5-9-17(18)20/h2-10H,11-15H2,1H3
InChIKeyWTFFYUGENFTQSV-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.79
Rot. Bonds5

About 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide

2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 40702187) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID40702187
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C19H22FN3O3S/c1-21(16-7-3-2-4-8-16)19(24)15-22-11-13-23(14-12-22)27(25,26)18-10-6-5-9-17(18)20/h2-10H,11-15H2,1H3
InChIKeyWTFFYUGENFTQSV-UHFFFAOYSA-N
XLogP1.79
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 3820684
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8749292
N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 8690260
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
CID 8749460
N-methyl-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 27183288
methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8749312
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 38079687
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17448409
N-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53161871
1-(2-fluorophenyl)sulfonyl-4-pentylpiperazine
CID 45369127
1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 61046329
1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride
CID 163331835

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide (CID 40702187) is 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is WTFFYUGENFTQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-21(16-7-3-2-4-8-16)19(24)15-22-11-13-23(14-12-22)27(25,26)18-10-6-5-9-17(18)20/h2-10H,11-15H2,1H3.
What are the key properties of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide?
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 391.47 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 40702187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).