3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide

C18H20Cl2FN3O2S — CID 42267989

IUPAC3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H20Cl2FN3O2S/c19-14-1-3-15(4-2-14)24-11-9-23(10-12-24)8-7-22-27(25,26)16-5-6-18(21)17(20)13-16/h1-6,13,22H,7-12H2
InChIKeyBRNZUHCLPIMXBE-UHFFFAOYSA-N
MW432.35 g/mol
LogP3.23
Rot. Bonds6

About 3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide

3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide (PubChem CID 42267989) has the molecular formula C18H20Cl2FN3O2S and a molecular weight of 432.35 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide
PubChem CID42267989
Molecular FormulaC18H20Cl2FN3O2S
Molecular Weight432.35 g/mol
Exact Mass431.06
IUPAC Name3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H20Cl2FN3O2S/c19-14-1-3-15(4-2-14)24-11-9-23(10-12-24)8-7-22-27(25,26)16-5-6-18(21)17(20)13-16/h1-6,13,22H,7-12H2
InChIKeyBRNZUHCLPIMXBE-UHFFFAOYSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluoro-3-methylbenzenesulfonamide
CID 42388861
3,4-difluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42428630
4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267445
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethoxy-3-fluorobenzenesulfonamide
CID 42388899
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388817
2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 42267664
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethylbenzenesulfonamide
CID 42388771
2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42388791
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethylbenzenesulfonamide
CID 42389477
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 42268041
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42389495

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide (CID 42267989) is 3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is BRNZUHCLPIMXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2FN3O2S/c19-14-1-3-15(4-2-14)24-11-9-23(10-12-24)8-7-22-27(25,26)16-5-6-18(21)17(20)13-16/h1-6,13,22H,7-12H2.
What are the key properties of 3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide?
3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 432.35 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 42267989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).