5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine

C14H16ClN5O2S — CID 120763663

IUPAC5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESNc1ncc(Cl)cc1S(=O)(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C14H16ClN5O2S/c15-11-6-13(14(16)19-8-11)23(21,22)20-5-4-18-9-12(20)10-2-1-3-17-7-10/h1-3,6-8,12,18H,4-5,9H2,(H2,16,19)
InChIKeyOMDAJHQQSYQENB-UHFFFAOYSA-N
MW353.84 g/mol
LogP1.05
Rot. Bonds3

About 5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine

5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 120763663) has the molecular formula C14H16ClN5O2S and a molecular weight of 353.84 g/mol. Its IUPAC name is 5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID120763663
Molecular FormulaC14H16ClN5O2S
Molecular Weight353.84 g/mol
Exact Mass353.07
IUPAC Name5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESNc1ncc(Cl)cc1S(=O)(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C14H16ClN5O2S/c15-11-6-13(14(16)19-8-11)23(21,22)20-5-4-18-9-12(20)10-2-1-3-17-7-10/h1-3,6-8,12,18H,4-5,9H2,(H2,16,19)
InChIKeyOMDAJHQQSYQENB-UHFFFAOYSA-N
XLogP1.05
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120776773
5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120765068
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764128
1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763688
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(2-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763694
1-(5-bromo-2-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763612
8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline
CID 120764072
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-(4,5-dimethyl-2-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763942

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 120763663) is 5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine is Nc1ncc(Cl)cc1S(=O)(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of 5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is OMDAJHQQSYQENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2S/c15-11-6-13(14(16)19-8-11)23(21,22)20-5-4-18-9-12(20)10-2-1-3-17-7-10/h1-3,6-8,12,18H,4-5,9H2,(H2,16,19).
What are the key properties of 5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine?
5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 353.84 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 120763663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).