2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride

C16H22Cl2N4O2S — CID 120765092

IUPAC2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C16H21ClN4O2S.ClH/c1-11-16(12(2)20(3)19-11)24(22,23)21-9-8-18-10-15(21)13-6-4-5-7-14(13)17;/h4-7,15,18H,8-10H2,1-3H3;1H
InChIKeyCPMLCULLVXWRBS-UHFFFAOYSA-N
MW405.35 g/mol
LogP2.45
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride

2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride (PubChem CID 120765092) has the molecular formula C16H22Cl2N4O2S and a molecular weight of 405.35 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
PubChem CID120765092
Molecular FormulaC16H22Cl2N4O2S
Molecular Weight405.35 g/mol
Exact Mass404.08
IUPAC Name2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C16H21ClN4O2S.ClH/c1-11-16(12(2)20(3)19-11)24(22,23)21-9-8-18-10-15(21)13-6-4-5-7-14(13)17;/h4-7,15,18H,8-10H2,1-3H3;1H
InChIKeyCPMLCULLVXWRBS-UHFFFAOYSA-N
XLogP2.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;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-(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
3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride
CID 120765276
2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
CID 120765152
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-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131
7-(2-chlorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-thiazepane
CID 90629980
5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120765068
1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120765302
2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride
CID 120765122

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride (CID 120765092) is 2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride is Cc1nn(C)c(C)c1S(=O)(=O)N1CCNCC1c1ccccc1Cl.Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride?
The InChIKey is CPMLCULLVXWRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2S.ClH/c1-11-16(12(2)20(3)19-11)24(22,23)21-9-8-18-10-15(21)13-6-4-5-7-14(13)17;/h4-7,15,18H,8-10H2,1-3H3;1H.
What are the key properties of 2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride?
2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride has a molecular weight of 405.35 g/mol, XLogP of 2.45, 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-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120765092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).