potassium;(2-acetamido-1,3-benzothiazol-6-yl)-trifluoroboranuide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)cyclohexanesulfonamide;N-[6-[6-chloro-5-(cyclohexylsulfonylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;cyclohexanesulfonyl chloride

C51H57BBr2Cl4F3KN10O8S5 — CID 157164201

About potassium;(2-acetamido-1,3-benzothiazol-6-yl)-trifluoroboranuide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)cyclohexanesulfonamide;N-[6-[6-chloro-5-(cyclohexylsulfonylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;cyclohexanesulfonyl chloride

potassium;(2-acetamido-1,3-benzothiazol-6-yl)-trifluoroboranuide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)cyclohexanesulfonamide;N-[6-[6-chloro-5-(cyclohexylsulfonylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;cyclohexanesulfonyl chloride (PubChem CID 157164201) has the molecular formula C51H57BBr2Cl4F3KN10O8S5 and a molecular weight of 1506.94 g/mol. Its IUPAC name is potassium;(2-acetamido-1,3-benzothiazol-6-yl)-trifluoroboranuide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)cyclohexanesulfonamide;N-[6-[6-chloro-5-(cyclohexylsulfonylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;cyclohexanesulfonyl chloride.

Molecular Properties

• Compound Name: potassium;(2-acetamido-1,3-benzothiazol-6-yl)-trifluoroboranuide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)cyclohexanesulfonamide;N-[6-[6-chloro-5-(cyclohexylsulfonylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;cyclohexanesulfonyl chloride
• PubChem CID: 157164201
• Molecular Formula: C51H57BBr2Cl4F3KN10O8S5
• Molecular Weight: 1506.94 g/mol
• Exact Mass: 1501.98
• IUPAC Name: potassium;(2-acetamido-1,3-benzothiazol-6-yl)-trifluoroboranuide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)cyclohexanesulfonamide;N-[6-[6-chloro-5-(cyclohexylsulfonylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;cyclohexanesulfonyl chloride
• SMILES: CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)C4CCCCC4)c3)cc2s1.CC(=O)Nc1nc2ccc([B-](F)(F)F)cc2s1.Nc1cc(Br)cnc1Cl.O=S(=O)(Cl)C1CCCCC1.O=S(=O)(Nc1cc(Br)cnc1Cl)C1CCCCC1.[K+]
• InChI: InChI=1S/C20H21ClN4O3S2.C11H14BrClN2O2S.C9H7BF3N2OS.C6H11ClO2S.C5H4BrClN2.K/c1-12(26)23-20-24-16-8-7-13(10-18(16)29-20)14-9-17(19(21)22-11-14)25-30(27,28)15-5-3-2-4-6-15;12-8-6-10(11(13)14-7-8)15-18(16,17)9-4-2-1-3-5-9;1-5(16)14-9-15-7-3-2-6(10(11,12)13)4-8(7)17-9;7-10(8,9)6-4-2-1-3-5-6;6-3-1-4(8)5(7)9-2-3;/h7-11,15,25H,2-6H2,1H3,(H,23,24,26);6-7,9,15H,1-5H2;2-4H,1H3,(H,14,15,16);6H,1-5H2;1-2H,8H2;/q;;-1;;;+1
• InChIKey: APESXFATTDEMSZ-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 275.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1506.94
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;(2-acetamido-1,3-benzothiazol-6-yl)-trifluoroboranuide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)cyclohexanesulfonamide;N-[6-[6-chloro-5-(cyclohexylsulfonylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;cyclohexanesulfonyl chloride?

The IUPAC name of potassium;(2-acetamido-1,3-benzothiazol-6-yl)-trifluoroboranuide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)cyclohexanesulfonamide;N-[6-[6-chloro-5-(cyclohexylsulfonylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;cyclohexanesulfonyl chloride (CID 157164201) is potassium;(2-acetamido-1,3-benzothiazol-6-yl)-trifluoroboranuide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)cyclohexanesulfonamide;N-[6-[6-chloro-5-(cyclohexylsulfonylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;cyclohexanesulfonyl chloride.

What is the SMILES notation for potassium;(2-acetamido-1,3-benzothiazol-6-yl)-trifluoroboranuide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)cyclohexanesulfonamide;N-[6-[6-chloro-5-(cyclohexylsulfonylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;cyclohexanesulfonyl chloride?

The canonical SMILES for potassium;(2-acetamido-1,3-benzothiazol-6-yl)-trifluoroboranuide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)cyclohexanesulfonamide;N-[6-[6-chloro-5-(cyclohexylsulfonylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;cyclohexanesulfonyl chloride is CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)C4CCCCC4)c3)cc2s1.CC(=O)Nc1nc2ccc([B-](F)(F)F)cc2s1.Nc1cc(Br)cnc1Cl.O=S(=O)(Cl)C1CCCCC1.O=S(=O)(Nc1cc(Br)cnc1Cl)C1CCCCC1.[K+].

What is the InChIKey of potassium;(2-acetamido-1,3-benzothiazol-6-yl)-trifluoroboranuide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)cyclohexanesulfonamide;N-[6-[6-chloro-5-(cyclohexylsulfonylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;cyclohexanesulfonyl chloride?

The InChIKey is APESXFATTDEMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3S2.C11H14BrClN2O2S.C9H7BF3N2OS.C6H11ClO2S.C5H4BrClN2.K/c1-12(26)23-20-24-16-8-7-13(10-18(16)29-20)14-9-17(19(21)22-11-14)25-30(27,28)15-5-3-2-4-6-15;12-8-6-10(11(13)14-7-8)15-18(16,17)9-4-2-1-3-5-9;1-5(16)14-9-15-7-3-2-6(10(11,12)13)4-8(7)17-9;7-10(8,9)6-4-2-1-3-5-6;6-3-1-4(8)5(7)9-2-3;/h7-11,15,25H,2-6H2,1H3,(H,23,24,26);6-7,9,15H,1-5H2;2-4H,1H3,(H,14,15,16);6H,1-5H2;1-2H,8H2;/q;;-1;;;+1.

What are the key properties of potassium;(2-acetamido-1,3-benzothiazol-6-yl)-trifluoroboranuide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)cyclohexanesulfonamide;N-[6-[6-chloro-5-(cyclohexylsulfonylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;cyclohexanesulfonyl chloride?

potassium;(2-acetamido-1,3-benzothiazol-6-yl)-trifluoroboranuide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)cyclohexanesulfonamide;N-[6-[6-chloro-5-(cyclohexylsulfonylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;cyclohexanesulfonyl chloride has a molecular weight of 1506.94 g/mol, XLogP of 11.90, 11 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;(2-acetamido-1,3-benzothiazol-6-yl)-trifluoroboranuide;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)cyclohexanesulfonamide;N-[6-[6-chloro-5-(cyclohexylsulfonylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;cyclohexanesulfonyl chloride is sourced from PubChem (CID 157164201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).