sodium;azane;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4,3-oxathiazinane 4-oxide;2-methylsulfonylethanol;bis(2-methylsulfonylethoxymethylbenzene);2-phenylmethoxyethanesulfonamide;bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride

C66H105Cl3N4NaO29S10- — CID 158591616

About sodium;azane;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4,3-oxathiazinane 4-oxide;2-methylsulfonylethanol;bis(2-methylsulfonylethoxymethylbenzene);2-phenylmethoxyethanesulfonamide;bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride

sodium;azane;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4,3-oxathiazinane 4-oxide;2-methylsulfonylethanol;bis(2-methylsulfonylethoxymethylbenzene);2-phenylmethoxyethanesulfonamide;bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride (PubChem CID 158591616) has the molecular formula C66H105Cl3N4NaO29S10- and a molecular weight of 1868.58 g/mol. Its IUPAC name is sodium;azane;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4,3-oxathiazinane 4-oxide;2-methylsulfonylethanol;bis(2-methylsulfonylethoxymethylbenzene);2-phenylmethoxyethanesulfonamide;bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride.

Molecular Properties

• Compound Name: sodium;azane;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4,3-oxathiazinane 4-oxide;2-methylsulfonylethanol;bis(2-methylsulfonylethoxymethylbenzene);2-phenylmethoxyethanesulfonamide;bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride
• PubChem CID: 158591616
• Molecular Formula: C66H105Cl3N4NaO29S10-
• Molecular Weight: 1868.58 g/mol
• Exact Mass: 1865.30
• IUPAC Name: sodium;azane;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4,3-oxathiazinane 4-oxide;2-methylsulfonylethanol;bis(2-methylsulfonylethoxymethylbenzene);2-phenylmethoxyethanesulfonamide;bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride
• SMILES: C.C=S1(=O)CCOCN1.CS(=O)(=O)CCO.CS(=O)(=O)CCOCc1ccccc1.CS(=O)(=O)CCOCc1ccccc1.N.NS(=O)(=O)CCO.NS(=O)(=O)CCOCc1ccccc1.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.C9H13NO3S.2C9H12O4S.C4H9NO2S.C3H8O3S.C2H7NO3S.CH4.Cl2OS.H3N.Na/c2*1-14(11,12)8-7-13-9-10-5-3-2-4-6-10;4*10-14(11,12)7-6-13-8-9-4-2-1-3-5-9;1-8(6)3-2-7-4-5-8;1-7(5,6)3-2-4;3-7(5,6)2-1-4;;1-4(2)3;;/h2*2-6H,7-9H2,1H3;1-5H,6-8H2;1-5H,6-8H2,(H2,10,11,12);2*1-5H,6-8H2,(H,10,11,12);1-4H2,(H,5,6);4H,2-3H2,1H3;4H,1-2H2,(H2,3,5,6);1H4;;1H3;/q;;;;;;;;;;;;+1/p-2
• InChIKey: HKFJUQSMAOPRFU-UHFFFAOYSA-L
• XLogP: 1.59
• TPSA: 557.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1868.58
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;azane;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4,3-oxathiazinane 4-oxide;2-methylsulfonylethanol;bis(2-methylsulfonylethoxymethylbenzene);2-phenylmethoxyethanesulfonamide;bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride?

The IUPAC name of sodium;azane;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4,3-oxathiazinane 4-oxide;2-methylsulfonylethanol;bis(2-methylsulfonylethoxymethylbenzene);2-phenylmethoxyethanesulfonamide;bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride (CID 158591616) is sodium;azane;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4,3-oxathiazinane 4-oxide;2-methylsulfonylethanol;bis(2-methylsulfonylethoxymethylbenzene);2-phenylmethoxyethanesulfonamide;bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride.

What is the SMILES notation for sodium;azane;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4,3-oxathiazinane 4-oxide;2-methylsulfonylethanol;bis(2-methylsulfonylethoxymethylbenzene);2-phenylmethoxyethanesulfonamide;bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride?

The canonical SMILES for sodium;azane;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4,3-oxathiazinane 4-oxide;2-methylsulfonylethanol;bis(2-methylsulfonylethoxymethylbenzene);2-phenylmethoxyethanesulfonamide;bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride is C.C=S1(=O)CCOCN1.CS(=O)(=O)CCO.CS(=O)(=O)CCOCc1ccccc1.CS(=O)(=O)CCOCc1ccccc1.N.NS(=O)(=O)CCO.NS(=O)(=O)CCOCc1ccccc1.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;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4,3-oxathiazinane 4-oxide;2-methylsulfonylethanol;bis(2-methylsulfonylethoxymethylbenzene);2-phenylmethoxyethanesulfonamide;bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride?

The InChIKey is HKFJUQSMAOPRFU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H14O3S.C9H11ClO3S.C9H13NO3S.2C9H12O4S.C4H9NO2S.C3H8O3S.C2H7NO3S.CH4.Cl2OS.H3N.Na/c2*1-14(11,12)8-7-13-9-10-5-3-2-4-6-10;4*10-14(11,12)7-6-13-8-9-4-2-1-3-5-9;1-8(6)3-2-7-4-5-8;1-7(5,6)3-2-4;3-7(5,6)2-1-4;;1-4(2)3;;/h2*2-6H,7-9H2,1H3;1-5H,6-8H2;1-5H,6-8H2,(H2,10,11,12);2*1-5H,6-8H2,(H,10,11,12);1-4H2,(H,5,6);4H,2-3H2,1H3;4H,1-2H2,(H2,3,5,6);1H4;;1H3;/q;;;;;;;;;;;;+1/p-2.

What are the key properties of sodium;azane;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4,3-oxathiazinane 4-oxide;2-methylsulfonylethanol;bis(2-methylsulfonylethoxymethylbenzene);2-phenylmethoxyethanesulfonamide;bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride?

sodium;azane;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4,3-oxathiazinane 4-oxide;2-methylsulfonylethanol;bis(2-methylsulfonylethoxymethylbenzene);2-phenylmethoxyethanesulfonamide;bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride has a molecular weight of 1868.58 g/mol, XLogP of 1.59, 34 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;azane;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4,3-oxathiazinane 4-oxide;2-methylsulfonylethanol;bis(2-methylsulfonylethoxymethylbenzene);2-phenylmethoxyethanesulfonamide;bis(2-phenylmethoxyethanesulfonate);2-phenylmethoxyethanesulfonyl chloride;thionyl dichloride is sourced from PubChem (CID 158591616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).