sodium;azane;chloromethylbenzene;bis(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

C75H119Cl4N5NaO32S11- — CID 158575605

About sodium;azane;chloromethylbenzene;bis(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;chloromethylbenzene;bis(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 158575605) has the molecular formula C75H119Cl4N5NaO32S11- and a molecular weight of 2120.32 g/mol. Its IUPAC name is sodium;azane;chloromethylbenzene;bis(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;chloromethylbenzene;bis(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: 158575605
• Molecular Formula: C75H119Cl4N5NaO32S11-
• Molecular Weight: 2120.32 g/mol
• Exact Mass: 2116.34
• IUPAC Name: sodium;azane;chloromethylbenzene;bis(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.ClCc1ccccc1.N.NS(=O)(=O)CCO.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.C7H7Cl.C4H9NO2S.C3H8O3S.2C2H7NO3S.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;8-6-7-4-2-1-3-5-7;1-8(6)3-2-7-4-5-8;1-7(5,6)3-2-4;2*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);1-5H,6H2;1-4H2,(H,5,6);4H,2-3H2,1H3;2*4H,1-2H2,(H2,3,5,6);1H4;;1H3;/q;;;;;;;;;;;;;;+1/p-2
• InChIKey: VJOFNHHEKWGLKV-UHFFFAOYSA-L
• XLogP: 2.28
• TPSA: 637.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 37
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2120.32
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;azane;chloromethylbenzene;bis(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;chloromethylbenzene;bis(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 158575605) is sodium;azane;chloromethylbenzene;bis(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;chloromethylbenzene;bis(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;chloromethylbenzene;bis(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.ClCc1ccccc1.N.NS(=O)(=O)CCO.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;chloromethylbenzene;bis(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 VJOFNHHEKWGLKV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H14O3S.C9H11ClO3S.C9H13NO3S.2C9H12O4S.C7H7Cl.C4H9NO2S.C3H8O3S.2C2H7NO3S.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;8-6-7-4-2-1-3-5-7;1-8(6)3-2-7-4-5-8;1-7(5,6)3-2-4;2*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);1-5H,6H2;1-4H2,(H,5,6);4H,2-3H2,1H3;2*4H,1-2H2,(H2,3,5,6);1H4;;1H3;/q;;;;;;;;;;;;;;+1/p-2.

What are the key properties of sodium;azane;chloromethylbenzene;bis(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;chloromethylbenzene;bis(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 2120.32 g/mol, XLogP of 2.28, 37 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;azane;chloromethylbenzene;bis(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 158575605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).