N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide

C19H20FN3O4S — CID 27510219

IUPACN-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C19H20FN3O4S/c20-17-9-5-4-8-16(17)19(25)21-14-18(24)22-10-12-23(13-11-22)28(26,27)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,25)
InChIKeyDBRYVQCWDZECQE-UHFFFAOYSA-N
MW405.45 g/mol
LogP1.09
Rot. Bonds5

About N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide

N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 27510219) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
PubChem CID27510219
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C19H20FN3O4S/c20-17-9-5-4-8-16(17)19(25)21-14-18(24)22-10-12-23(13-11-22)28(26,27)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,25)
InChIKeyDBRYVQCWDZECQE-UHFFFAOYSA-N
XLogP1.09
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 46581941
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 4213467
2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 55638612
N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide
CID 26778544
ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2568966
2-ethoxy-N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 24552245
2-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 43045470
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,5-difluoroanilino)ethanone
CID 51252716
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-chloro-2-fluoroanilino)ethanone
CID 51490486
[4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 2225542
N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide
CID 106671856
N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide
CID 24544072

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide (CID 27510219) is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide is O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1F.
What is the InChIKey of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is DBRYVQCWDZECQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c20-17-9-5-4-8-16(17)19(25)21-14-18(24)22-10-12-23(13-11-22)28(26,27)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,25).
What are the key properties of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 405.45 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 27510219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).