[7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid

C9H8ClN2O7PS — CID 11760033

IUPAC[7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid
SMILESO=c1[nH]c2cc(Cl)c(S(=O)(=O)NO)cc2cc1P(=O)(O)O
InChIInChI=1S/C9H8ClN2O7PS/c10-5-3-6-4(2-8(5)21(18,19)12-14)1-7(9(13)11-6)20(15,16)17/h1-3,12,14H,(H,11,13)(H2,15,16,17)
InChIKeyNBSVXYSCUBRFRJ-UHFFFAOYSA-N
MW354.66 g/mol
LogP-0.35
Rot. Bonds3

About [7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid

[7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid (PubChem CID 11760033) has the molecular formula C9H8ClN2O7PS and a molecular weight of 354.66 g/mol. Its IUPAC name is [7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid.

Molecular Properties

Compound Name[7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid
PubChem CID11760033
Molecular FormulaC9H8ClN2O7PS
Molecular Weight354.66 g/mol
Exact Mass353.95
IUPAC Name[7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid
SMILESO=c1[nH]c2cc(Cl)c(S(=O)(=O)NO)cc2cc1P(=O)(O)O
InChIInChI=1S/C9H8ClN2O7PS/c10-5-3-6-4(2-8(5)21(18,19)12-14)1-7(9(13)11-6)20(15,16)17/h1-3,12,14H,(H,11,13)(H2,15,16,17)
InChIKeyNBSVXYSCUBRFRJ-UHFFFAOYSA-N
XLogP-0.35
TPSA156.79 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.66
LogP ≤ 5-0.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid?
The IUPAC name of [7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid (CID 11760033) is [7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid.
What is the SMILES notation for [7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid?
The canonical SMILES for [7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid is O=c1[nH]c2cc(Cl)c(S(=O)(=O)NO)cc2cc1P(=O)(O)O.
What is the InChIKey of [7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid?
The InChIKey is NBSVXYSCUBRFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN2O7PS/c10-5-3-6-4(2-8(5)21(18,19)12-14)1-7(9(13)11-6)20(15,16)17/h1-3,12,14H,(H,11,13)(H2,15,16,17).
What are the key properties of [7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid?
[7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid has a molecular weight of 354.66 g/mol, XLogP of -0.35, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid is sourced from PubChem (CID 11760033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).