3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride

C16H20Cl2N4O2S — CID 120765276

IUPAC3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride
SMILESCc1cnc(N)c(S(=O)(=O)N2CCNCC2c2ccccc2Cl)c1.Cl
InChIInChI=1S/C16H19ClN4O2S.ClH/c1-11-8-15(16(18)20-9-11)24(22,23)21-7-6-19-10-14(21)12-4-2-3-5-13(12)17;/h2-5,8-9,14,19H,6-7,10H2,1H3,(H2,18,20);1H
InChIKeyNBNXIKSJOJDYIB-UHFFFAOYSA-N
MW403.34 g/mol
LogP2.38
Rot. Bonds3

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

3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride (PubChem CID 120765276) has the molecular formula C16H20Cl2N4O2S and a molecular weight of 403.34 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride
PubChem CID120765276
Molecular FormulaC16H20Cl2N4O2S
Molecular Weight403.34 g/mol
Exact Mass402.07
IUPAC Name3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride
SMILESCc1cnc(N)c(S(=O)(=O)N2CCNCC2c2ccccc2Cl)c1.Cl
InChIInChI=1S/C16H19ClN4O2S.ClH/c1-11-8-15(16(18)20-9-11)24(22,23)21-7-6-19-10-14(21)12-4-2-3-5-13(12)17;/h2-5,8-9,14,19H,6-7,10H2,1H3,(H2,18,20);1H
InChIKeyNBNXIKSJOJDYIB-UHFFFAOYSA-N
XLogP2.38
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120765068
5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120765306
2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765172
5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120776773
2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765092
2-(2-chlorophenyl)-1-[(5-chloro-3-pyridinyl)sulfonyl]piperazine
CID 120765119
2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 120765325
5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 120763663
2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765280
1-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763257
1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120765302
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride?
The IUPAC name of 3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride (CID 120765276) is 3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride?
The canonical SMILES for 3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride is Cc1cnc(N)c(S(=O)(=O)N2CCNCC2c2ccccc2Cl)c1.Cl.
What is the InChIKey of 3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride?
The InChIKey is NBNXIKSJOJDYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S.ClH/c1-11-8-15(16(18)20-9-11)24(22,23)21-7-6-19-10-14(21)12-4-2-3-5-13(12)17;/h2-5,8-9,14,19H,6-7,10H2,1H3,(H2,18,20);1H.
What are the key properties of 3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride?
3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride has a molecular weight of 403.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120765276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).