disodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate

C8H6NNa2O6PS2 — CID 14547488

IUPACdisodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate
SMILESNS(=O)(=O)c1cc2ccc(OP(=O)([O-])[O-])cc2s1.[Na+].[Na+]
InChIInChI=1S/C8H8NO6PS2.2Na/c9-18(13,14)8-3-5-1-2-6(4-7(5)17-8)15-16(10,11)12;;/h1-4H,(H2,9,13,14)(H2,10,11,12);;/q;2*+1/p-2
InChIKeyMFCIGQAVRBGEIQ-UHFFFAOYSA-L
MW353.23 g/mol
LogP-6.24
Rot. Bonds3

About disodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate

disodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate (PubChem CID 14547488) has the molecular formula C8H6NNa2O6PS2 and a molecular weight of 353.23 g/mol. Its IUPAC name is disodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate.

Molecular Properties

Compound Namedisodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate
PubChem CID14547488
Molecular FormulaC8H6NNa2O6PS2
Molecular Weight353.23 g/mol
Exact Mass352.92
IUPAC Namedisodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate
SMILESNS(=O)(=O)c1cc2ccc(OP(=O)([O-])[O-])cc2s1.[Na+].[Na+]
InChIInChI=1S/C8H8NO6PS2.2Na/c9-18(13,14)8-3-5-1-2-6(4-7(5)17-8)15-16(10,11)12;;/h1-4H,(H2,9,13,14)(H2,10,11,12);;/q;2*+1/p-2
InChIKeyMFCIGQAVRBGEIQ-UHFFFAOYSA-L
XLogP-6.24
TPSA132.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 5-6.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate?
The IUPAC name of disodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate (CID 14547488) is disodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate.
What is the SMILES notation for disodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate?
The canonical SMILES for disodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate is NS(=O)(=O)c1cc2ccc(OP(=O)([O-])[O-])cc2s1.[Na+].[Na+].
What is the InChIKey of disodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate?
The InChIKey is MFCIGQAVRBGEIQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H8NO6PS2.2Na/c9-18(13,14)8-3-5-1-2-6(4-7(5)17-8)15-16(10,11)12;;/h1-4H,(H2,9,13,14)(H2,10,11,12);;/q;2*+1/p-2.
What are the key properties of disodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate?
disodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate has a molecular weight of 353.23 g/mol, XLogP of -6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2-sulfamoyl-1-benzothiophen-6-yl) phosphate is sourced from PubChem (CID 14547488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).