2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride

C14H20Cl2N2O2S — CID 120765152

IUPAC2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(CC1CC1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O2S.ClH/c15-13-4-2-1-3-12(13)14-9-16-7-8-17(14)20(18,19)10-11-5-6-11;/h1-4,11,14,16H,5-10H2;1H
InChIKeyRVDZUIOUXCDKPE-UHFFFAOYSA-N
MW351.30 g/mol
LogP2.45
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride

2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride (PubChem CID 120765152) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
PubChem CID120765152
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(CC1CC1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O2S.ClH/c15-13-4-2-1-3-12(13)14-9-16-7-8-17(14)20(18,19)10-11-5-6-11;/h1-4,11,14,16H,5-10H2;1H
InChIKeyRVDZUIOUXCDKPE-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride
CID 120765122
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131
1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine
CID 120763181
2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride
CID 120765026
5-[[2-(2-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole
CID 120765197
2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane
CID 120765027
2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765092
2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765280
2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride
CID 120757517
2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 120765315
2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 120765325
2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine
CID 120763133

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride (CID 120765152) is 2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride is Cl.O=S(=O)(CC1CC1)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride?
The InChIKey is RVDZUIOUXCDKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S.ClH/c15-13-4-2-1-3-12(13)14-9-16-7-8-17(14)20(18,19)10-11-5-6-11;/h1-4,11,14,16H,5-10H2;1H.
What are the key properties of 2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride?
2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride has a molecular weight of 351.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 120765152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).