N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide

C19H22FN3O5S2 — CID 167988550

IUPACN-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H22FN3O5S2/c20-17-8-4-5-9-18(17)30(27,28)21-14-19(24)22-10-12-23(13-11-22)29(25,26)15-16-6-2-1-3-7-16/h1-9,21H,10-15H2
InChIKeyNNKAOSZAIWVOMJ-UHFFFAOYSA-N
MW455.53 g/mol
LogP0.78
Rot. Bonds7

About N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide

N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide (PubChem CID 167988550) has the molecular formula C19H22FN3O5S2 and a molecular weight of 455.53 g/mol. Its IUPAC name is N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide
PubChem CID167988550
Molecular FormulaC19H22FN3O5S2
Molecular Weight455.53 g/mol
Exact Mass455.10
IUPAC NameN-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H22FN3O5S2/c20-17-8-4-5-9-18(17)30(27,28)21-14-19(24)22-10-12-23(13-11-22)29(25,26)15-16-6-2-1-3-7-16/h1-9,21H,10-15H2
InChIKeyNNKAOSZAIWVOMJ-UHFFFAOYSA-N
XLogP0.78
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 26527715
1-(4-benzylsulfonylpiperazin-1-yl)-2-(1,2-diphenylethylamino)ethanone
CID 42887549
2,6-difluoro-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8713521
N-[2-[4-[(3,4-dimethylphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide
CID 146098829
1-(4-benzylsulfonyl-1,4-diazepan-1-yl)-2-chloroethanone
CID 156907199
[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 55397647
2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
CID 26552718
N-[(1R)-3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 41154962
1-(4-benzylsulfonylpiperazin-1-yl)-2-ethylbutan-1-one
CID 78779180
2-amino-1-(4-benzylsulfonylpiperazin-1-yl)propan-1-one
CID 119270045
2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119403723
2-(4-aminophenyl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone;hydrochloride
CID 119687217

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide (CID 167988550) is N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide is O=C(CNS(=O)(=O)c1ccccc1F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide?
The InChIKey is NNKAOSZAIWVOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O5S2/c20-17-8-4-5-9-18(17)30(27,28)21-14-19(24)22-10-12-23(13-11-22)29(25,26)15-16-6-2-1-3-7-16/h1-9,21H,10-15H2.
What are the key properties of N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide?
N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide has a molecular weight of 455.53 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 167988550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).