potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride

C23H21BrKN5O3S2 — CID 173307673

About potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride

potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride (PubChem CID 173307673) has the molecular formula C23H21BrKN5O3S2 and a molecular weight of 598.59 g/mol. Its IUPAC name is potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride.

Molecular Properties

• Compound Name: potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride
• PubChem CID: 173307673
• Molecular Formula: C23H21BrKN5O3S2
• Molecular Weight: 598.59 g/mol
• Exact Mass: 596.99
• IUPAC Name: potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride
• SMILES: O=C(c1ccccc1NS(=O)(=O)c1ccccn1)N1CCN(c2nc3ccc(Br)cc3s2)CC1.[H-].[K+]
• InChI: InChI=1S/C23H20BrN5O3S2.K.H/c24-16-8-9-19-20(15-16)33-23(26-19)29-13-11-28(12-14-29)22(30)17-5-1-2-6-18(17)27-34(31,32)21-7-3-4-10-25-21;;/h1-10,15,27H,11-14H2;;/q;+1;-1
• InChIKey: LDKYPLJIZAQMDS-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.59
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride?

The IUPAC name of potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride (CID 173307673) is potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride.

What is the SMILES notation for potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride?

The canonical SMILES for potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride is O=C(c1ccccc1NS(=O)(=O)c1ccccn1)N1CCN(c2nc3ccc(Br)cc3s2)CC1.[H-].[K+].

What is the InChIKey of potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride?

The InChIKey is LDKYPLJIZAQMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN5O3S2.K.H/c24-16-8-9-19-20(15-16)33-23(26-19)29-13-11-28(12-14-29)22(30)17-5-1-2-6-18(17)27-34(31,32)21-7-3-4-10-25-21;;/h1-10,15,27H,11-14H2;;/q;+1;-1.

What are the key properties of potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride?

potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride has a molecular weight of 598.59 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride is sourced from PubChem (CID 173307673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).