2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride

C13H19Cl2FN2O2S — CID 120765122

IUPAC2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(CCCF)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C13H18ClFN2O2S.ClH/c14-12-5-2-1-4-11(12)13-10-16-7-8-17(13)20(18,19)9-3-6-15;/h1-2,4-5,13,16H,3,6-10H2;1H
InChIKeyKPAMMGJNLUUQNM-UHFFFAOYSA-N
MW357.28 g/mol
LogP2.40
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride

2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride (PubChem CID 120765122) has the molecular formula C13H19Cl2FN2O2S and a molecular weight of 357.28 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride
PubChem CID120765122
Molecular FormulaC13H19Cl2FN2O2S
Molecular Weight357.28 g/mol
Exact Mass356.05
IUPAC Name2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(CCCF)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C13H18ClFN2O2S.ClH/c14-12-5-2-1-4-11(12)13-10-16-7-8-17(13)20(18,19)9-3-6-15;/h1-2,4-5,13,16H,3,6-10H2;1H
InChIKeyKPAMMGJNLUUQNM-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride 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-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
CID 120765152
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131
5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole
CID 120765197
2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride
CID 120757517
2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 120765325
2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765280
2-(2-chlorophenyl)-1-[(5-chloro-3-pyridinyl)sulfonyl]piperazine
CID 120765119
2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride
CID 120765026
2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 120765315
2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane
CID 120765027
1-[2-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120739571
2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765092

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride (CID 120765122) is 2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride is Cl.O=S(=O)(CCCF)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride?
The InChIKey is KPAMMGJNLUUQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S.ClH/c14-12-5-2-1-4-11(12)13-10-16-7-8-17(13)20(18,19)9-3-6-15;/h1-2,4-5,13,16H,3,6-10H2;1H.
What are the key properties of 2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride?
2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride has a molecular weight of 357.28 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 120765122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).