5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide

C23H19Cl3FN3O3S — CID 4179172

IUPAC5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1F
InChIInChI=1S/C23H19Cl3FN3O3S/c24-15-2-1-3-17(12-15)29-8-10-30(11-9-29)34(32,33)18-5-7-22(27)19(14-18)23(31)28-16-4-6-20(25)21(26)13-16/h1-7,12-14H,8-11H2,(H,28,31)
InChIKeyPFBGMJULEJVHDT-UHFFFAOYSA-N
MW542.85 g/mol
LogP5.55
Rot. Bonds5

About 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide

5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide (PubChem CID 4179172) has the molecular formula C23H19Cl3FN3O3S and a molecular weight of 542.85 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide
PubChem CID4179172
Molecular FormulaC23H19Cl3FN3O3S
Molecular Weight542.85 g/mol
Exact Mass541.02
IUPAC Name5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1F
InChIInChI=1S/C23H19Cl3FN3O3S/c24-15-2-1-3-17(12-15)29-8-10-30(11-9-29)34(32,33)18-5-7-22(27)19(14-18)23(31)28-16-4-6-20(25)21(26)13-16/h1-7,12-14H,8-11H2,(H,28,31)
InChIKeyPFBGMJULEJVHDT-UHFFFAOYSA-N
XLogP5.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.85
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-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

5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4088835
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
CID 24687022
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 4857710
N-(3-chloro-4-methylphenyl)-2-fluoro-5-(4-propylpiperazin-1-yl)sulfonylbenzamide
CID 23958804
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine
CID 113079298
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
N-(2,4-dichlorophenyl)-2-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
CID 6616787
2-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-N-(4-propan-2-ylphenyl)benzamide
CID 3585654
2-chloro-N-(3-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969383
N-(4-bromophenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide
CID 15998852
N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
CID 44624249

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide (CID 4179172) is 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1F.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide?
The InChIKey is PFBGMJULEJVHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl3FN3O3S/c24-15-2-1-3-17(12-15)29-8-10-30(11-9-29)34(32,33)18-5-7-22(27)19(14-18)23(31)28-16-4-6-20(25)21(26)13-16/h1-7,12-14H,8-11H2,(H,28,31).
What are the key properties of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide?
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide has a molecular weight of 542.85 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 4179172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).