5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride

C15H17Cl3N4O2S — CID 120765068

IUPAC5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
SMILESCl.Nc1ncc(Cl)cc1S(=O)(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H16Cl2N4O2S.ClH/c16-10-7-14(15(18)20-8-10)24(22,23)21-6-5-19-9-13(21)11-3-1-2-4-12(11)17;/h1-4,7-8,13,19H,5-6,9H2,(H2,18,20);1H
InChIKeyZYMFHNNUTZFBMZ-UHFFFAOYSA-N
MW423.75 g/mol
LogP2.73
Rot. Bonds3

About 5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride

5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride (PubChem CID 120765068) has the molecular formula C15H17Cl3N4O2S and a molecular weight of 423.75 g/mol. Its IUPAC name is 5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
PubChem CID120765068
Molecular FormulaC15H17Cl3N4O2S
Molecular Weight423.75 g/mol
Exact Mass422.01
IUPAC Name5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
SMILESCl.Nc1ncc(Cl)cc1S(=O)(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H16Cl2N4O2S.ClH/c16-10-7-14(15(18)20-8-10)24(22,23)21-6-5-19-9-13(21)11-3-1-2-4-12(11)17;/h1-4,7-8,13,19H,5-6,9H2,(H2,18,20);1H
InChIKeyZYMFHNNUTZFBMZ-UHFFFAOYSA-N
XLogP2.73
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.75
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride
CID 120765276
5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120776773
5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 120763663
2-(2-chlorophenyl)-1-[(5-chloro-3-pyridinyl)sulfonyl]piperazine
CID 120765119
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-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765172
2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765092
1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120765302
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131
2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
CID 120765152
2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765280

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride?
The IUPAC name of 5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride (CID 120765068) is 5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride?
The canonical SMILES for 5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride is Cl.Nc1ncc(Cl)cc1S(=O)(=O)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride?
The InChIKey is ZYMFHNNUTZFBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2S.ClH/c16-10-7-14(15(18)20-8-10)24(22,23)21-6-5-19-9-13(21)11-3-1-2-4-12(11)17;/h1-4,7-8,13,19H,5-6,9H2,(H2,18,20);1H.
What are the key properties of 5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride?
5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride has a molecular weight of 423.75 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120765068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).