sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;bis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride

C56H78Cl4N2NaO21S7- — CID 157197104

About sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;bis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride

sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;bis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride (PubChem CID 157197104) has the molecular formula C56H78Cl4N2NaO21S7- and a molecular weight of 1504.50 g/mol. Its IUPAC name is sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;bis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride.

Molecular Properties

• Compound Name: sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;bis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride
• PubChem CID: 157197104
• Molecular Formula: C56H78Cl4N2NaO21S7-
• Molecular Weight: 1504.50 g/mol
• Exact Mass: 1501.18
• IUPAC Name: sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;bis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride
• SMILES: CS(=O)(=O)CCOCc1ccccc1.CS(=O)(=O)CCOCc1ccccc1.ClCc1ccccc1.N.NS(=O)(=O)CCO.O=S(=O)(Cl)CCOCc1ccccc1.O=S(=O)([O-])CCOCc1ccccc1.O=S(=O)([O-])CCOCc1ccccc1.O=S(Cl)Cl.[Na+]
• InChI: InChI=1S/2C10H14O3S.C9H11ClO3S.2C9H12O4S.C7H7Cl.C2H7NO3S.Cl2OS.H3N.Na/c2*1-14(11,12)8-7-13-9-10-5-3-2-4-6-10;3*10-14(11,12)7-6-13-8-9-4-2-1-3-5-9;8-6-7-4-2-1-3-5-7;3-7(5,6)2-1-4;1-4(2)3;;/h2*2-6H,7-9H2,1H3;1-5H,6-8H2;2*1-5H,6-8H2,(H,10,11,12);1-5H,6H2;4H,1-2H2,(H2,3,5,6);;1H3;/q;;;;;;;;;+1/p-2
• InChIKey: WKWUXVBCBRXKKY-UHFFFAOYSA-L
• XLogP: 4.67
• TPSA: 395.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1504.50
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;bis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride?

The IUPAC name of sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;bis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride (CID 157197104) is sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;bis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride.

What is the SMILES notation for sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;bis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride?

The canonical SMILES for sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;bis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride is CS(=O)(=O)CCOCc1ccccc1.CS(=O)(=O)CCOCc1ccccc1.ClCc1ccccc1.N.NS(=O)(=O)CCO.O=S(=O)(Cl)CCOCc1ccccc1.O=S(=O)([O-])CCOCc1ccccc1.O=S(=O)([O-])CCOCc1ccccc1.O=S(Cl)Cl.[Na+].

What is the InChIKey of sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;bis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride?

The InChIKey is WKWUXVBCBRXKKY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H14O3S.C9H11ClO3S.2C9H12O4S.C7H7Cl.C2H7NO3S.Cl2OS.H3N.Na/c2*1-14(11,12)8-7-13-9-10-5-3-2-4-6-10;3*10-14(11,12)7-6-13-8-9-4-2-1-3-5-9;8-6-7-4-2-1-3-5-7;3-7(5,6)2-1-4;1-4(2)3;;/h2*2-6H,7-9H2,1H3;1-5H,6-8H2;2*1-5H,6-8H2,(H,10,11,12);1-5H,6H2;4H,1-2H2,(H2,3,5,6);;1H3;/q;;;;;;;;;+1/p-2.

What are the key properties of sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;bis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride?

sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;bis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride has a molecular weight of 1504.50 g/mol, XLogP of 4.67, 28 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;bis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride is sourced from PubChem (CID 157197104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).