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

C12H17ClN4O2S — CID 126784700

IUPAC5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESNc1ncc(Cl)cc1S(=O)(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C12H17ClN4O2S/c13-9-7-11(12(14)15-8-9)20(18,19)17-5-3-16(4-6-17)10-1-2-10/h7-8,10H,1-6H2,(H2,14,15)
InChIKeyNTFAHZLRCZSANY-UHFFFAOYSA-N
MW316.81 g/mol
LogP0.79
Rot. Bonds3

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

5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 126784700) has the molecular formula C12H17ClN4O2S and a molecular weight of 316.81 g/mol. Its IUPAC name is 5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID126784700
Molecular FormulaC12H17ClN4O2S
Molecular Weight316.81 g/mol
Exact Mass316.08
IUPAC Name5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESNc1ncc(Cl)cc1S(=O)(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C12H17ClN4O2S/c13-9-7-11(12(14)15-8-9)20(18,19)17-5-3-16(4-6-17)10-1-2-10/h7-8,10H,1-6H2,(H2,14,15)
InChIKeyNTFAHZLRCZSANY-UHFFFAOYSA-N
XLogP0.79
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 126784700) is 5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine is Nc1ncc(Cl)cc1S(=O)(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of 5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is NTFAHZLRCZSANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2S/c13-9-7-11(12(14)15-8-9)20(18,19)17-5-3-16(4-6-17)10-1-2-10/h7-8,10H,1-6H2,(H2,14,15).
What are the key properties of 5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine?
5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 316.81 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 126784700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).