3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide

C17H17Cl2N5O2S2 — CID 123979853

About 3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide

3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide (PubChem CID 123979853) has the molecular formula C17H17Cl2N5O2S2 and a molecular weight of 458.40 g/mol. Its IUPAC name is 3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide
• PubChem CID: 123979853
• Molecular Formula: C17H17Cl2N5O2S2
• Molecular Weight: 458.40 g/mol
• Exact Mass: 457.02
• IUPAC Name: 3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide
• SMILES: Cc1ncc(CNCc2cnc(CNS(=O)(=O)c3cc(Cl)cc(Cl)c3)cn2)s1
• InChI: InChI=1S/C17H17Cl2N5O2S2/c1-11-21-10-16(27-11)9-20-5-14-6-23-15(7-22-14)8-24-28(25,26)17-3-12(18)2-13(19)4-17/h2-4,6-7,10,20,24H,5,8-9H2,1H3
• InChIKey: AGXCGTVIXIRORF-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 96.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.40
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide?

The IUPAC name of 3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide (CID 123979853) is 3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide.

What is the SMILES notation for 3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide?

The canonical SMILES for 3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide is Cc1ncc(CNCc2cnc(CNS(=O)(=O)c3cc(Cl)cc(Cl)c3)cn2)s1.

What is the InChIKey of 3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide?

The InChIKey is AGXCGTVIXIRORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2S2/c1-11-21-10-16(27-11)9-20-5-14-6-23-15(7-22-14)8-24-28(25,26)17-3-12(18)2-13(19)4-17/h2-4,6-7,10,20,24H,5,8-9H2,1H3.

What are the key properties of 3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide?

3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide has a molecular weight of 458.40 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 123979853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).