(2-sulfamoylphenyl) dihydrogen phosphate

C6H8NO6PS — CID 154197376

IUPAC(2-sulfamoylphenyl) dihydrogen phosphate
SMILESNS(=O)(=O)c1ccccc1OP(=O)(O)O
InChIInChI=1S/C6H8NO6PS/c7-15(11,12)6-4-2-1-3-5(6)13-14(8,9)10/h1-4H,(H2,7,11,12)(H2,8,9,10)
InChIKeyDGZPDMMEMDFMLY-UHFFFAOYSA-N
MW253.17 g/mol
LogP-0.19
Rot. Bonds3

About (2-sulfamoylphenyl) dihydrogen phosphate

(2-sulfamoylphenyl) dihydrogen phosphate (PubChem CID 154197376) has the molecular formula C6H8NO6PS and a molecular weight of 253.17 g/mol. Its IUPAC name is (2-sulfamoylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-sulfamoylphenyl) dihydrogen phosphate
PubChem CID154197376
Molecular FormulaC6H8NO6PS
Molecular Weight253.17 g/mol
Exact Mass252.98
IUPAC Name(2-sulfamoylphenyl) dihydrogen phosphate
SMILESNS(=O)(=O)c1ccccc1OP(=O)(O)O
InChIInChI=1S/C6H8NO6PS/c7-15(11,12)6-4-2-1-3-5(6)13-14(8,9)10/h1-4H,(H2,7,11,12)(H2,8,9,10)
InChIKeyDGZPDMMEMDFMLY-UHFFFAOYSA-N
XLogP-0.19
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-sulfamoylphenyl) dihydrogen phosphate?
The IUPAC name of (2-sulfamoylphenyl) dihydrogen phosphate (CID 154197376) is (2-sulfamoylphenyl) dihydrogen phosphate.
What is the SMILES notation for (2-sulfamoylphenyl) dihydrogen phosphate?
The canonical SMILES for (2-sulfamoylphenyl) dihydrogen phosphate is NS(=O)(=O)c1ccccc1OP(=O)(O)O.
What is the InChIKey of (2-sulfamoylphenyl) dihydrogen phosphate?
The InChIKey is DGZPDMMEMDFMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO6PS/c7-15(11,12)6-4-2-1-3-5(6)13-14(8,9)10/h1-4H,(H2,7,11,12)(H2,8,9,10).
What are the key properties of (2-sulfamoylphenyl) dihydrogen phosphate?
(2-sulfamoylphenyl) dihydrogen phosphate has a molecular weight of 253.17 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-sulfamoylphenyl) dihydrogen phosphate is sourced from PubChem (CID 154197376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).