N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide

C24H22FN3O4S — CID 32647585

IUPACN-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C24H22FN3O4S/c25-20-11-5-7-13-22(20)33(31,32)28-16-14-27(15-17-28)24(30)19-10-4-6-12-21(19)26-23(29)18-8-2-1-3-9-18/h1-13H,14-17H2,(H,26,29)
InChIKeyUNSZIKOAAWNZIM-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.22
Rot. Bonds5

About N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide

N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide (PubChem CID 32647585) has the molecular formula C24H22FN3O4S and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
PubChem CID32647585
Molecular FormulaC24H22FN3O4S
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC NameN-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C24H22FN3O4S/c25-20-11-5-7-13-22(20)33(31,32)28-16-14-27(15-17-28)24(30)19-10-4-6-12-21(19)26-23(29)18-8-2-1-3-9-18/h1-13H,14-17H2,(H,26,29)
InChIKeyUNSZIKOAAWNZIM-UHFFFAOYSA-N
XLogP3.22
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
CID 32644263
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 4309952
(2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27799750
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 27163251
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 17455845
4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
CID 6920712
2-fluoro-N-(2-morpholin-4-ylsulfonylphenyl)benzamide
CID 90451563
N-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 55522105
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 41275092
N-[2-(azepane-1-carbonyl)phenyl]-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43925510

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide (CID 32647585) is N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide is O=C(Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide?
The InChIKey is UNSZIKOAAWNZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4S/c25-20-11-5-7-13-22(20)33(31,32)28-16-14-27(15-17-28)24(30)19-10-4-6-12-21(19)26-23(29)18-8-2-1-3-9-18/h1-13H,14-17H2,(H,26,29).
What are the key properties of N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide?
N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide has a molecular weight of 467.52 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 32647585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).