N-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide

C19H20FN3O4S — CID 2336859

IUPACN-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN3O4S/c1-14(24)22-10-12-23(13-11-22)19(25)17-4-2-3-5-18(17)21-28(26,27)16-8-6-15(20)7-9-16/h2-9,21H,10-13H2,1H3
InChIKeyKKTBRMZTIKUVBP-UHFFFAOYSA-N
MW405.45 g/mol
LogP1.93
Rot. Bonds4

About N-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide

N-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 2336859) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
PubChem CID2336859
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC NameN-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN3O4S/c1-14(24)22-10-12-23(13-11-22)19(25)17-4-2-3-5-18(17)21-28(26,27)16-8-6-15(20)7-9-16/h2-9,21H,10-13H2,1H3
InChIKeyKKTBRMZTIKUVBP-UHFFFAOYSA-N
XLogP1.93
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
RN-9893
CID 121513880
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
2-[[(4-Fluorophenyl)sulfonyl]amino]benzamide
CID 788806
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
4-(3,4-Dihydroquinolin-1(2h)-Ylcarbonyl)benzenesulfonamide
CID 91827503
N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
4-[4-(3-Fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 36275608
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
CID 992258
N-(2-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1006749
4-methyl-N-[2-(1-piperidinylcarbonyl)phenyl]benzenesulfonamide
CID 1049835

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide (CID 2336859) is N-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide is CC(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is KKTBRMZTIKUVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c1-14(24)22-10-12-23(13-11-22)19(25)17-4-2-3-5-18(17)21-28(26,27)16-8-6-15(20)7-9-16/h2-9,21H,10-13H2,1H3.
What are the key properties of N-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
N-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 405.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2336859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).