2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride

C15H20Cl2N4O2S — CID 120765172

IUPAC2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride
SMILESCc1nc(S(=O)(=O)N2CCNCC2c2ccccc2Cl)cn1C.Cl
InChIInChI=1S/C15H19ClN4O2S.ClH/c1-11-18-15(10-19(11)2)23(21,22)20-8-7-17-9-14(20)12-5-3-4-6-13(12)16;/h3-6,10,14,17H,7-9H2,1-2H3;1H
InChIKeySXDSSIULWCMLQO-UHFFFAOYSA-N
MW391.32 g/mol
LogP2.14
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride

2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride (PubChem CID 120765172) has the molecular formula C15H20Cl2N4O2S and a molecular weight of 391.32 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride
PubChem CID120765172
Molecular FormulaC15H20Cl2N4O2S
Molecular Weight391.32 g/mol
Exact Mass390.07
IUPAC Name2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride
SMILESCc1nc(S(=O)(=O)N2CCNCC2c2ccccc2Cl)cn1C.Cl
InChIInChI=1S/C15H19ClN4O2S.ClH/c1-11-18-15(10-19(11)2)23(21,22)20-8-7-17-9-14(20)12-5-3-4-6-13(12)16;/h3-6,10,14,17H,7-9H2,1-2H3;1H
InChIKeySXDSSIULWCMLQO-UHFFFAOYSA-N
XLogP2.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765092
5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120765306
1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969883
3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride
CID 120765276
2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 120765325
2-(2-chlorophenyl)-1-[(5-chloro-3-pyridinyl)sulfonyl]piperazine
CID 120765119
5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120765068
2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765280
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131
methyl 2-[4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyrazol-1-yl]acetate
CID 120765125
2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
CID 120765152
2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride
CID 120765026

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride (CID 120765172) is 2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride is Cc1nc(S(=O)(=O)N2CCNCC2c2ccccc2Cl)cn1C.Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
The InChIKey is SXDSSIULWCMLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S.ClH/c1-11-18-15(10-19(11)2)23(21,22)20-8-7-17-9-14(20)12-5-3-4-6-13(12)16;/h3-6,10,14,17H,7-9H2,1-2H3;1H.
What are the key properties of 2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride has a molecular weight of 391.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120765172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).