2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate

C12H14NO6PS — CID 11473003

IUPAC2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C12H14NO6PS/c14-20(15,16)19-8-7-13-21(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H2,14,15,16)
InChIKeyFCROUVVWZFPGFM-UHFFFAOYSA-N
MW331.29 g/mol
LogP1.23
Rot. Bonds6

About 2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate

2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate (PubChem CID 11473003) has the molecular formula C12H14NO6PS and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate
PubChem CID11473003
Molecular FormulaC12H14NO6PS
Molecular Weight331.29 g/mol
Exact Mass331.03
IUPAC Name2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C12H14NO6PS/c14-20(15,16)19-8-7-13-21(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H2,14,15,16)
InChIKeyFCROUVVWZFPGFM-UHFFFAOYSA-N
XLogP1.23
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate?
The IUPAC name of 2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate (CID 11473003) is 2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate.
What is the SMILES notation for 2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate?
The canonical SMILES for 2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate is O=P(O)(O)OCCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate?
The InChIKey is FCROUVVWZFPGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO6PS/c14-20(15,16)19-8-7-13-21(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H2,14,15,16).
What are the key properties of 2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate?
2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate has a molecular weight of 331.29 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate is sourced from PubChem (CID 11473003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).