N-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide

C17H24N4O2S — CID 133468803

IUPACN-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
SMILESCc1cnc(C)c(NCc2ccccc2S(=O)(=O)NC(C)(C)C)n1
InChIInChI=1S/C17H24N4O2S/c1-12-10-18-13(2)16(20-12)19-11-14-8-6-7-9-15(14)24(22,23)21-17(3,4)5/h6-10,21H,11H2,1-5H3,(H,19,20)
InChIKeyPSFABBRUMJEGJE-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.78
Rot. Bonds5

About N-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide

N-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide (PubChem CID 133468803) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
PubChem CID133468803
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
SMILESCc1cnc(C)c(NCc2ccccc2S(=O)(=O)NC(C)(C)C)n1
InChIInChI=1S/C17H24N4O2S/c1-12-10-18-13(2)16(20-12)19-11-14-8-6-7-9-15(14)24(22,23)21-17(3,4)5/h6-10,21H,11H2,1-5H3,(H,19,20)
InChIKeyPSFABBRUMJEGJE-UHFFFAOYSA-N
XLogP2.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]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-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide (CID 133468803) is N-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide is Cc1cnc(C)c(NCc2ccccc2S(=O)(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide?
The InChIKey is PSFABBRUMJEGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12-10-18-13(2)16(20-12)19-11-14-8-6-7-9-15(14)24(22,23)21-17(3,4)5/h6-10,21H,11H2,1-5H3,(H,19,20).
What are the key properties of N-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide?
N-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 133468803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).