2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride

C16H23Cl2N3O2S — CID 120765026

IUPAC2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCl.O=S(=O)(N1CC2CCC1C2)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C16H22ClN3O2S.ClH/c17-15-4-2-1-3-14(15)16-10-18-7-8-19(16)23(21,22)20-11-12-5-6-13(20)9-12;/h1-4,12-13,16,18H,5-11H2;1H
InChIKeyBQIXGZKTVZWVJO-UHFFFAOYSA-N
MW392.35 g/mol
LogP2.44
Rot. Bonds3

About 2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride

2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride (PubChem CID 120765026) has the molecular formula C16H23Cl2N3O2S and a molecular weight of 392.35 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride
PubChem CID120765026
Molecular FormulaC16H23Cl2N3O2S
Molecular Weight392.35 g/mol
Exact Mass391.09
IUPAC Name2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCl.O=S(=O)(N1CC2CCC1C2)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C16H22ClN3O2S.ClH/c17-15-4-2-1-3-14(15)16-10-18-7-8-19(16)23(21,22)20-11-12-5-6-13(20)9-12;/h1-4,12-13,16,18H,5-11H2;1H
InChIKeyBQIXGZKTVZWVJO-UHFFFAOYSA-N
XLogP2.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane
CID 120765027
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131
2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
CID 120765152
4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine;hydrochloride
CID 120765230
2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 120765315
2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride
CID 120765122
2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765172
5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120765306
2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 120765325
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
1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120765302

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride?
The IUPAC name of 2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride (CID 120765026) is 2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride.
What is the SMILES notation for 2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride?
The canonical SMILES for 2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride is Cl.O=S(=O)(N1CC2CCC1C2)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride?
The InChIKey is BQIXGZKTVZWVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2S.ClH/c17-15-4-2-1-3-14(15)16-10-18-7-8-19(16)23(21,22)20-11-12-5-6-13(20)9-12;/h1-4,12-13,16,18H,5-11H2;1H.
What are the key properties of 2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride?
2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride has a molecular weight of 392.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride is sourced from PubChem (CID 120765026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).