3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide

C20H21ClFN3O4S — CID 24983157

IUPAC3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)CC1
InChIInChI=1S/C20H21ClFN3O4S/c1-14(26)24-9-11-25(12-10-24)20(27)18-13-17(7-8-19(18)21)30(28,29)23(2)16-5-3-15(22)4-6-16/h3-8,13H,9-12H2,1-2H3
InChIKeyLSXYZZIQNOLISS-UHFFFAOYSA-N
MW453.92 g/mol
LogP2.61
Rot. Bonds4

About 3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide

3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide (PubChem CID 24983157) has the molecular formula C20H21ClFN3O4S and a molecular weight of 453.92 g/mol. Its IUPAC name is 3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
PubChem CID24983157
Molecular FormulaC20H21ClFN3O4S
Molecular Weight453.92 g/mol
Exact Mass453.09
IUPAC Name3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)CC1
InChIInChI=1S/C20H21ClFN3O4S/c1-14(26)24-9-11-25(12-10-24)20(27)18-13-17(7-8-19(18)21)30(28,29)23(2)16-5-3-15(22)4-6-16/h3-8,13H,9-12H2,1-2H3
InChIKeyLSXYZZIQNOLISS-UHFFFAOYSA-N
XLogP2.61
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.92
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide 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

4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 26535482
4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 78800534
4-chloro-N-(4-fluorophenyl)-N-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 4869923
4-chloro-N-(4-fluorophenyl)-N-methyl-3-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 42907637
4-chloro-3-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 46478927
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 27537238
4-chloro-3-(4-ethylpiperazin-4-ium-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
CID 2334711
3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide
CID 78802366
(4-acetylphenyl) 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
CID 2710036
4-chloro-N-(4-fluorophenyl)-N-methyl-3-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 55505234
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide
CID 27659841
3-(azocane-1-carbonyl)-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 51145580

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide (CID 24983157) is 3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide is CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)CC1.
What is the InChIKey of 3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide?
The InChIKey is LSXYZZIQNOLISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O4S/c1-14(26)24-9-11-25(12-10-24)20(27)18-13-17(7-8-19(18)21)30(28,29)23(2)16-5-3-15(22)4-6-16/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide?
3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide has a molecular weight of 453.92 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 24983157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).