sodium 2-(benzenesulfonamido)ethyl sulfate

C8H10NNaO6S2 — CID 23668701

IUPACsodium 2-(benzenesulfonamido)ethyl sulfate
SMILESO=S(=O)([O-])OCCNS(=O)(=O)c1ccccc1.[Na+]
InChIInChI=1S/C8H11NO6S2.Na/c10-16(11,8-4-2-1-3-5-8)9-6-7-15-17(12,13)14;/h1-5,9H,6-7H2,(H,12,13,14);/q;+1/p-1
InChIKeyRBIOGJORBVISNE-UHFFFAOYSA-M
MW303.29 g/mol
LogP-3.55
Rot. Bonds6

About sodium 2-(benzenesulfonamido)ethyl sulfate

sodium 2-(benzenesulfonamido)ethyl sulfate (PubChem CID 23668701) has the molecular formula C8H10NNaO6S2 and a molecular weight of 303.29 g/mol. Its IUPAC name is sodium 2-(benzenesulfonamido)ethyl sulfate.

Molecular Properties

Compound Namesodium 2-(benzenesulfonamido)ethyl sulfate
PubChem CID23668701
Molecular FormulaC8H10NNaO6S2
Molecular Weight303.29 g/mol
Exact Mass302.98
IUPAC Namesodium 2-(benzenesulfonamido)ethyl sulfate
SMILESO=S(=O)([O-])OCCNS(=O)(=O)c1ccccc1.[Na+]
InChIInChI=1S/C8H11NO6S2.Na/c10-16(11,8-4-2-1-3-5-8)9-6-7-15-17(12,13)14;/h1-5,9H,6-7H2,(H,12,13,14);/q;+1/p-1
InChIKeyRBIOGJORBVISNE-UHFFFAOYSA-M
XLogP-3.55
TPSA112.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 5-3.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(benzenesulfonamido)ethyl sulfate?
The IUPAC name of sodium 2-(benzenesulfonamido)ethyl sulfate (CID 23668701) is sodium 2-(benzenesulfonamido)ethyl sulfate.
What is the SMILES notation for sodium 2-(benzenesulfonamido)ethyl sulfate?
The canonical SMILES for sodium 2-(benzenesulfonamido)ethyl sulfate is O=S(=O)([O-])OCCNS(=O)(=O)c1ccccc1.[Na+].
What is the InChIKey of sodium 2-(benzenesulfonamido)ethyl sulfate?
The InChIKey is RBIOGJORBVISNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO6S2.Na/c10-16(11,8-4-2-1-3-5-8)9-6-7-15-17(12,13)14;/h1-5,9H,6-7H2,(H,12,13,14);/q;+1/p-1.
What are the key properties of sodium 2-(benzenesulfonamido)ethyl sulfate?
sodium 2-(benzenesulfonamido)ethyl sulfate has a molecular weight of 303.29 g/mol, XLogP of -3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(benzenesulfonamido)ethyl sulfate is sourced from PubChem (CID 23668701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).