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

C11H12ClN2O6PS — CID 10155805

IUPAC[7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid
SMILESCN(C)S(=O)(=O)c1cc2cc(P(=O)(O)O)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C11H12ClN2O6PS/c1-14(2)22(19,20)10-4-6-3-9(21(16,17)18)11(15)13-8(6)5-7(10)12/h3-5H,1-2H3,(H,13,15)(H2,16,17,18)
InChIKeyDMCDHTVHBAAABC-UHFFFAOYSA-N
MW366.72 g/mol
LogP0.23
Rot. Bonds3

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

[7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid (PubChem CID 10155805) has the molecular formula C11H12ClN2O6PS and a molecular weight of 366.72 g/mol. Its IUPAC name is [7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid.

Molecular Properties

Compound Name[7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid
PubChem CID10155805
Molecular FormulaC11H12ClN2O6PS
Molecular Weight366.72 g/mol
Exact Mass365.98
IUPAC Name[7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid
SMILESCN(C)S(=O)(=O)c1cc2cc(P(=O)(O)O)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C11H12ClN2O6PS/c1-14(2)22(19,20)10-4-6-3-9(21(16,17)18)11(15)13-8(6)5-7(10)12/h3-5H,1-2H3,(H,13,15)(H2,16,17,18)
InChIKeyDMCDHTVHBAAABC-UHFFFAOYSA-N
XLogP0.23
TPSA127.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.72
LogP ≤ 50.23
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 [7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid?
The IUPAC name of [7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid (CID 10155805) is [7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid.
What is the SMILES notation for [7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid?
The canonical SMILES for [7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid is CN(C)S(=O)(=O)c1cc2cc(P(=O)(O)O)c(=O)[nH]c2cc1Cl.
What is the InChIKey of [7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid?
The InChIKey is DMCDHTVHBAAABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN2O6PS/c1-14(2)22(19,20)10-4-6-3-9(21(16,17)18)11(15)13-8(6)5-7(10)12/h3-5H,1-2H3,(H,13,15)(H2,16,17,18).
What are the key properties of [7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid?
[7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid has a molecular weight of 366.72 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid is sourced from PubChem (CID 10155805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).