N-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide

C18H19N5O2S — CID 92610353

IUPACN-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide
SMILESCNc1cc(CCNS(=O)(=O)c2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H19N5O2S/c1-19-17-13-14(22-18(23-17)16-9-5-6-11-20-16)10-12-21-26(24,25)15-7-3-2-4-8-15/h2-9,11,13,21H,10,12H2,1H3,(H,19,22,23)
InChIKeyMAURGLKSQHMMQT-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.10
Rot. Bonds7

About N-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide

N-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide (PubChem CID 92610353) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide
PubChem CID92610353
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide
SMILESCNc1cc(CCNS(=O)(=O)c2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H19N5O2S/c1-19-17-13-14(22-18(23-17)16-9-5-6-11-20-16)10-12-21-26(24,25)15-7-3-2-4-8-15/h2-9,11,13,21H,10,12H2,1H3,(H,19,22,23)
InChIKeyMAURGLKSQHMMQT-UHFFFAOYSA-N
XLogP2.10
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide (CID 92610353) is N-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide is CNc1cc(CCNS(=O)(=O)c2ccccc2)nc(-c2ccccn2)n1.
What is the InChIKey of N-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide?
The InChIKey is MAURGLKSQHMMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-19-17-13-14(22-18(23-17)16-9-5-6-11-20-16)10-12-21-26(24,25)15-7-3-2-4-8-15/h2-9,11,13,21H,10,12H2,1H3,(H,19,22,23).
What are the key properties of N-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide?
N-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(methylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 92610353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).