2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride

C12H19Cl3FN3O2S — CID 119966552

IUPAC2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCN1CCNCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C12H17ClFN3O2S.2ClH/c13-11-9-10(14)1-2-12(11)20(18,19)16-5-8-17-6-3-15-4-7-17;;/h1-2,9,15-16H,3-8H2;2*1H
InChIKeyLDIQHDXAYOJVTJ-UHFFFAOYSA-N
MW394.73 g/mol
LogP1.51
Rot. Bonds5

About 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride

2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride (PubChem CID 119966552) has the molecular formula C12H19Cl3FN3O2S and a molecular weight of 394.73 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
PubChem CID119966552
Molecular FormulaC12H19Cl3FN3O2S
Molecular Weight394.73 g/mol
Exact Mass393.02
IUPAC Name2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCN1CCNCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C12H17ClFN3O2S.2ClH/c13-11-9-10(14)1-2-12(11)20(18,19)16-5-8-17-6-3-15-4-7-17;;/h1-2,9,15-16H,3-8H2;2*1H
InChIKeyLDIQHDXAYOJVTJ-UHFFFAOYSA-N
XLogP1.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.73
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride 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

2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 115752213
2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206367
2,6-dichloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999799
4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599807
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
2-bromo-4-fluoro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 60824052
2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966401
4-bromo-2-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120707438
1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774
2-chloro-4-nitro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994665
3-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999791
2-fluoro-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)benzenesulfonamide;dihydrochloride
CID 119966645

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
The IUPAC name of 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride (CID 119966552) is 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride is Cl.Cl.O=S(=O)(NCCN1CCNCC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
The InChIKey is LDIQHDXAYOJVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3O2S.2ClH/c13-11-9-10(14)1-2-12(11)20(18,19)16-5-8-17-6-3-15-4-7-17;;/h1-2,9,15-16H,3-8H2;2*1H.
What are the key properties of 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride has a molecular weight of 394.73 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 119966552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).