sodium;3-bromo-5-(3-chloropropylsulfonylmethyl)pyridine;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;deuterio(fluoro)methane;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

C54H70BBr3Cl3FN11NaO12S4 — CID 159411141

About sodium;3-bromo-5-(3-chloropropylsulfonylmethyl)pyridine;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;deuterio(fluoro)methane;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

sodium;3-bromo-5-(3-chloropropylsulfonylmethyl)pyridine;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;deuterio(fluoro)methane;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 159411141) has the molecular formula C54H70BBr3Cl3FN11NaO12S4 and a molecular weight of 1593.36 g/mol. Its IUPAC name is sodium;3-bromo-5-(3-chloropropylsulfonylmethyl)pyridine;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;deuterio(fluoro)methane;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: sodium;3-bromo-5-(3-chloropropylsulfonylmethyl)pyridine;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;deuterio(fluoro)methane;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 159411141
• Molecular Formula: C54H70BBr3Cl3FN11NaO12S4
• Molecular Weight: 1593.36 g/mol
• Exact Mass: 1588.07
• IUPAC Name: sodium;3-bromo-5-(3-chloropropylsulfonylmethyl)pyridine;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;deuterio(fluoro)methane;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2cncc(N3CCCS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Nc1cncc(Br)c1.O=S(=O)(CCCCl)Cc1cncc(Br)c1.O=S(=O)(Cl)CCCCl.O=S1(=O)CCCN1c1cncc(Br)c1.[2H]CF.[H-].[Na+]
• InChI: InChI=1S/C15H16N4O3S.C13H19BN2O3.C9H11BrClNO2S.C8H9BrN2O2S.C5H5BrN2.C3H6Cl2O2S.CH3F.Na.H/c1-11(20)18-15-8-12(3-4-17-15)13-7-14(10-16-9-13)19-5-2-6-23(19,21)22;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;10-9-4-8(5-12-6-9)7-15(13,14)3-1-2-11;9-7-4-8(6-10-5-7)11-2-1-3-14(11,12)13;6-4-1-5(7)3-8-2-4;4-2-1-3-8(5,6)7;1-2;;/h3-4,7-10H,2,5-6H2,1H3,(H,17,18,20);6-8H,1-5H3,(H,15,16,17);4-6H,1-3,7H2;4-6H,1-3H2;1-3H,7H2;1-3H2;1H3;;/q;;;;;;;+1;-1/i;;;;;;1D
• InChIKey: BZXUTTWEHDFTAW-UMMGPYKBSA-N
• XLogP: 7.07
• TPSA: 323.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1593.36
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;3-bromo-5-(3-chloropropylsulfonylmethyl)pyridine;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;deuterio(fluoro)methane;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The IUPAC name of sodium;3-bromo-5-(3-chloropropylsulfonylmethyl)pyridine;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;deuterio(fluoro)methane;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 159411141) is sodium;3-bromo-5-(3-chloropropylsulfonylmethyl)pyridine;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;deuterio(fluoro)methane;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for sodium;3-bromo-5-(3-chloropropylsulfonylmethyl)pyridine;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;deuterio(fluoro)methane;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The canonical SMILES for sodium;3-bromo-5-(3-chloropropylsulfonylmethyl)pyridine;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;deuterio(fluoro)methane;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cncc(N3CCCS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Nc1cncc(Br)c1.O=S(=O)(CCCCl)Cc1cncc(Br)c1.O=S(=O)(Cl)CCCCl.O=S1(=O)CCCN1c1cncc(Br)c1.[2H]CF.[H-].[Na+].

What is the InChIKey of sodium;3-bromo-5-(3-chloropropylsulfonylmethyl)pyridine;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;deuterio(fluoro)methane;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The InChIKey is BZXUTTWEHDFTAW-UMMGPYKBSA-N. The full InChI is InChI=1S/C15H16N4O3S.C13H19BN2O3.C9H11BrClNO2S.C8H9BrN2O2S.C5H5BrN2.C3H6Cl2O2S.CH3F.Na.H/c1-11(20)18-15-8-12(3-4-17-15)13-7-14(10-16-9-13)19-5-2-6-23(19,21)22;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;10-9-4-8(5-12-6-9)7-15(13,14)3-1-2-11;9-7-4-8(6-10-5-7)11-2-1-3-14(11,12)13;6-4-1-5(7)3-8-2-4;4-2-1-3-8(5,6)7;1-2;;/h3-4,7-10H,2,5-6H2,1H3,(H,17,18,20);6-8H,1-5H3,(H,15,16,17);4-6H,1-3,7H2;4-6H,1-3H2;1-3H,7H2;1-3H2;1H3;;/q;;;;;;;+1;-1/i;;;;;;1D;;.

What are the key properties of sodium;3-bromo-5-(3-chloropropylsulfonylmethyl)pyridine;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;deuterio(fluoro)methane;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

sodium;3-bromo-5-(3-chloropropylsulfonylmethyl)pyridine;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;deuterio(fluoro)methane;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 1593.36 g/mol, XLogP of 7.07, 14 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-bromo-5-(3-chloropropylsulfonylmethyl)pyridine;5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;deuterio(fluoro)methane;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 159411141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).