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

C15H17Cl3N4O2S — CID 120776773

IUPAC5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
SMILESCl.Nc1ncc(Cl)cc1S(=O)(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H16Cl2N4O2S.ClH/c16-11-3-1-2-10(6-11)13-9-19-4-5-21(13)24(22,23)14-7-12(17)8-20-15(14)18;/h1-3,6-8,13,19H,4-5,9H2,(H2,18,20);1H
InChIKeyZCXKDZQLJGOBER-UHFFFAOYSA-N
MW423.75 g/mol
LogP2.73
Rot. Bonds3

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

5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride (PubChem CID 120776773) has the molecular formula C15H17Cl3N4O2S and a molecular weight of 423.75 g/mol. Its IUPAC name is 5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
PubChem CID120776773
Molecular FormulaC15H17Cl3N4O2S
Molecular Weight423.75 g/mol
Exact Mass422.01
IUPAC Name5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
SMILESCl.Nc1ncc(Cl)cc1S(=O)(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H16Cl2N4O2S.ClH/c16-11-3-1-2-10(6-11)13-9-19-4-5-21(13)24(22,23)14-7-12(17)8-20-15(14)18;/h1-3,6-8,13,19H,4-5,9H2,(H2,18,20);1H
InChIKeyZCXKDZQLJGOBER-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

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

5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 120763663
5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120765068
2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride
CID 120777039
1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
CID 120776858
2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride
CID 120776793
4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methylbenzonitrile;hydrochloride
CID 120776845
3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride
CID 120765276
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 120776788
1-(5-chloro-2-nitrophenyl)sulfonyl-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120764720
2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine
CID 120776752
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
2-(3-chlorophenyl)-1-(4-methyl-3-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120776785

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride?
The IUPAC name of 5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride (CID 120776773) is 5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride?
The canonical SMILES for 5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride is Cl.Nc1ncc(Cl)cc1S(=O)(=O)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride?
The InChIKey is ZCXKDZQLJGOBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2S.ClH/c16-11-3-1-2-10(6-11)13-9-19-4-5-21(13)24(22,23)14-7-12(17)8-20-15(14)18;/h1-3,6-8,13,19H,4-5,9H2,(H2,18,20);1H.
What are the key properties of 5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride?
5-chloro-3-[2-(3-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-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120776773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).