3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C12H19ClN4O2S — CID 64600354

IUPAC3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCCC1CN(S(=O)(=O)c2cnc(N)c(Cl)c2)CCN1C
InChIInChI=1S/C12H19ClN4O2S/c1-3-9-8-17(5-4-16(9)2)20(18,19)10-6-11(13)12(14)15-7-10/h6-7,9H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyVQBXVKYNLOUCCG-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.03
Rot. Bonds3

About 3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 64600354) has the molecular formula C12H19ClN4O2S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID64600354
Molecular FormulaC12H19ClN4O2S
Molecular Weight318.83 g/mol
Exact Mass318.09
IUPAC Name3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCCC1CN(S(=O)(=O)c2cnc(N)c(Cl)c2)CCN1C
InChIInChI=1S/C12H19ClN4O2S/c1-3-9-8-17(5-4-16(9)2)20(18,19)10-6-11(13)12(14)15-7-10/h6-7,9H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyVQBXVKYNLOUCCG-UHFFFAOYSA-N
XLogP1.03
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 64600354) is 3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CCC1CN(S(=O)(=O)c2cnc(N)c(Cl)c2)CCN1C.
What is the InChIKey of 3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is VQBXVKYNLOUCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2S/c1-3-9-8-17(5-4-16(9)2)20(18,19)10-6-11(13)12(14)15-7-10/h6-7,9H,3-5,8H2,1-2H3,(H2,14,15).
What are the key properties of 3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 318.83 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 64600354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).